N,N-dibenzyl-5-chloro-3-methylimidazo[4,5-b]pyridin-7-amine;4-N,4-N-dibenzyl-6-chloro-2-N-methyl-3-nitropyridine-2,4-diamine;4-N,4-N-dibenzyl-6-chloro-2-N-methylpyridine-2,3,4-triamine;N,N-dibenzyl-2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine

C90H81Cl9N20O6 — CID 159905025

IUPACN,N-dibenzyl-5-chloro-3-methylimidazo[4,5-b]pyridin-7-amine;4-N,4-N-dibenzyl-6-chloro-2-N-methyl-3-nitropyridine-2,4-diamine;4-N,4-N-dibenzyl-6-chloro-2-N-methylpyridine-2,3,4-triamine;N,N-dibenzyl-2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine
SMILESCNc1nc(Cl)cc(N(Cc2ccccc2)Cc2ccccc2)c1N.CNc1nc(Cl)cc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-].Cn1cnc2c(N(Cc3ccccc3)Cc3ccccc3)cc(Cl)nc21.Nc1cc(Cl)nc(Cl)c1.Nc1cc(Cl)nc(Cl)c1[N+](=O)[O-].O=[N+]([O-])c1c(N(Cc2ccccc2)Cc2ccccc2)cc(Cl)nc1Cl
InChIInChI=1S/C21H19ClN4.C20H19ClN4O2.C20H21ClN4.C19H15Cl2N3O2.C5H3Cl2N3O2.C5H4Cl2N2/c1-25-15-23-20-18(12-19(22)24-21(20)25)26(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17;1-22-20-19(25(26)27)17(12-18(21)23-20)24(13-15-8-4-2-5-9-15)14-16-10-6-3-7-11-16;1-23-20-19(22)17(12-18(21)24-20)25(13-15-8-4-2-5-9-15)14-16-10-6-3-7-11-16;20-17-11-16(18(24(25)26)19(21)22-17)23(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15;6-3-1-2(8)4(10(11)12)5(7)9-3;6-4-1-3(8)2-5(7)9-4/h2-12,15H,13-14H2,1H3;2-12H,13-14H2,1H3,(H,22,23);2-12H,13-14,22H2,1H3,(H,23,24);1-11H,12-13H2;1H,(H2,8,9);1-2H,(H2,8,9)
InChIKeyNWLOCJFBGHRYHZ-UHFFFAOYSA-N
MW1857.85 g/mol
LogP23.64
Rot. Bonds25

About N,N-dibenzyl-5-chloro-3-methylimidazo[4,5-b]pyridin-7-amine;4-N,4-N-dibenzyl-6-chloro-2-N-methyl-3-nitropyridine-2,4-diamine;4-N,4-N-dibenzyl-6-chloro-2-N-methylpyridine-2,3,4-triamine;N,N-dibenzyl-2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine

N,N-dibenzyl-5-chloro-3-methylimidazo[4,5-b]pyridin-7-amine;4-N,4-N-dibenzyl-6-chloro-2-N-methyl-3-nitropyridine-2,4-diamine;4-N,4-N-dibenzyl-6-chloro-2-N-methylpyridine-2,3,4-triamine;N,N-dibenzyl-2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine (PubChem CID 159905025) has the molecular formula C90H81Cl9N20O6 and a molecular weight of 1857.85 g/mol. Its IUPAC name is N,N-dibenzyl-5-chloro-3-methylimidazo[4,5-b]pyridin-7-amine;4-N,4-N-dibenzyl-6-chloro-2-N-methyl-3-nitropyridine-2,4-diamine;4-N,4-N-dibenzyl-6-chloro-2-N-methylpyridine-2,3,4-triamine;N,N-dibenzyl-2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine.

Molecular Properties

Compound NameN,N-dibenzyl-5-chloro-3-methylimidazo[4,5-b]pyridin-7-amine;4-N,4-N-dibenzyl-6-chloro-2-N-methyl-3-nitropyridine-2,4-diamine;4-N,4-N-dibenzyl-6-chloro-2-N-methylpyridine-2,3,4-triamine;N,N-dibenzyl-2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine
PubChem CID159905025
Molecular FormulaC90H81Cl9N20O6
Molecular Weight1857.85 g/mol
Exact Mass1852.38
IUPAC NameN,N-dibenzyl-5-chloro-3-methylimidazo[4,5-b]pyridin-7-amine;4-N,4-N-dibenzyl-6-chloro-2-N-methyl-3-nitropyridine-2,4-diamine;4-N,4-N-dibenzyl-6-chloro-2-N-methylpyridine-2,3,4-triamine;N,N-dibenzyl-2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine
SMILESCNc1nc(Cl)cc(N(Cc2ccccc2)Cc2ccccc2)c1N.CNc1nc(Cl)cc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-].Cn1cnc2c(N(Cc3ccccc3)Cc3ccccc3)cc(Cl)nc21.Nc1cc(Cl)nc(Cl)c1.Nc1cc(Cl)nc(Cl)c1[N+](=O)[O-].O=[N+]([O-])c1c(N(Cc2ccccc2)Cc2ccccc2)cc(Cl)nc1Cl
InChIInChI=1S/C21H19ClN4.C20H19ClN4O2.C20H21ClN4.C19H15Cl2N3O2.C5H3Cl2N3O2.C5H4Cl2N2/c1-25-15-23-20-18(12-19(22)24-21(20)25)26(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17;1-22-20-19(25(26)27)17(12-18(21)23-20)24(13-15-8-4-2-5-9-15)14-16-10-6-3-7-11-16;1-23-20-19(22)17(12-18(21)24-20)25(13-15-8-4-2-5-9-15)14-16-10-6-3-7-11-16;20-17-11-16(18(24(25)26)19(21)22-17)23(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15;6-3-1-2(8)4(10(11)12)5(7)9-3;6-4-1-3(8)2-5(7)9-4/h2-12,15H,13-14H2,1H3;2-12H,13-14H2,1H3,(H,22,23);2-12H,13-14,22H2,1H3,(H,23,24);1-11H,12-13H2;1H,(H2,8,9);1-2H,(H2,8,9)
InChIKeyNWLOCJFBGHRYHZ-UHFFFAOYSA-N
XLogP23.64
TPSA339.66 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds25
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001857.85
LogP ≤ 523.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N-dibenzyl-5-chloro-3-methylimidazo[4,5-b]pyridin-7-amine;4-N,4-N-dibenzyl-6-chloro-2-N-methyl-3-nitropyridine-2,4-diamine;4-N,4-N-dibenzyl-6-chloro-2-N-methylpyridine-2,3,4-triamine;N,N-dibenzyl-2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine with MolForge

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Related Compounds

N'-[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-N-(5-nitro-2-pyridinyl)-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 137662214
US11420970, Example 229
CID 156073199
6-N-[2-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
CID 59313083
3-(6-chloro-4-nitro-2-pyridinyl)-6-fluoro-2-methylimidazo[1,2-a]pyridine;2,6-dichloro-4-nitropyridine;6-fluoro-2,3-dimethylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;4-methylaniline
CID 158781042
4-amino-6-chloro-3-nitropyridine-2-carbonitrile;4-amino-3-nitro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;3,4-diamino-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;1-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile;6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 161066404
N'-[5-(benzimidazol-1-yl)-4-(2,4-dichlorophenyl)pyrimidin-2-yl]-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 18335003
8-(2,6-dichlorophenyl)-N-[(3-nitrophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine
CID 25014241
N6-(2-{[7-(2,4-Dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino}propyl)-3-nitropyridine-2,6-diamine
CID 59312931
6-N-[2-[[7-(2,4-dichlorophenyl)-2-[(dimethylamino)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
CID 59312974
N6-(3-{[7-(2,4-Dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino}propyl)-3-nitropyridine-2,6-diamine
CID 59313019
6-N-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine
CID 59313042
6-N-[1-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propan-2-yl]-3-nitropyridine-2,6-diamine
CID 59313045

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-5-chloro-3-methylimidazo[4,5-b]pyridin-7-amine;4-N,4-N-dibenzyl-6-chloro-2-N-methyl-3-nitropyridine-2,4-diamine;4-N,4-N-dibenzyl-6-chloro-2-N-methylpyridine-2,3,4-triamine;N,N-dibenzyl-2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine?
The IUPAC name of N,N-dibenzyl-5-chloro-3-methylimidazo[4,5-b]pyridin-7-amine;4-N,4-N-dibenzyl-6-chloro-2-N-methyl-3-nitropyridine-2,4-diamine;4-N,4-N-dibenzyl-6-chloro-2-N-methylpyridine-2,3,4-triamine;N,N-dibenzyl-2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine (CID 159905025) is N,N-dibenzyl-5-chloro-3-methylimidazo[4,5-b]pyridin-7-amine;4-N,4-N-dibenzyl-6-chloro-2-N-methyl-3-nitropyridine-2,4-diamine;4-N,4-N-dibenzyl-6-chloro-2-N-methylpyridine-2,3,4-triamine;N,N-dibenzyl-2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine.
What is the SMILES notation for N,N-dibenzyl-5-chloro-3-methylimidazo[4,5-b]pyridin-7-amine;4-N,4-N-dibenzyl-6-chloro-2-N-methyl-3-nitropyridine-2,4-diamine;4-N,4-N-dibenzyl-6-chloro-2-N-methylpyridine-2,3,4-triamine;N,N-dibenzyl-2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine?
The canonical SMILES for N,N-dibenzyl-5-chloro-3-methylimidazo[4,5-b]pyridin-7-amine;4-N,4-N-dibenzyl-6-chloro-2-N-methyl-3-nitropyridine-2,4-diamine;4-N,4-N-dibenzyl-6-chloro-2-N-methylpyridine-2,3,4-triamine;N,N-dibenzyl-2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine is CNc1nc(Cl)cc(N(Cc2ccccc2)Cc2ccccc2)c1N.CNc1nc(Cl)cc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-].Cn1cnc2c(N(Cc3ccccc3)Cc3ccccc3)cc(Cl)nc21.Nc1cc(Cl)nc(Cl)c1.Nc1cc(Cl)nc(Cl)c1[N+](=O)[O-].O=[N+]([O-])c1c(N(Cc2ccccc2)Cc2ccccc2)cc(Cl)nc1Cl.
What is the InChIKey of N,N-dibenzyl-5-chloro-3-methylimidazo[4,5-b]pyridin-7-amine;4-N,4-N-dibenzyl-6-chloro-2-N-methyl-3-nitropyridine-2,4-diamine;4-N,4-N-dibenzyl-6-chloro-2-N-methylpyridine-2,3,4-triamine;N,N-dibenzyl-2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine?
The InChIKey is NWLOCJFBGHRYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4.C20H19ClN4O2.C20H21ClN4.C19H15Cl2N3O2.C5H3Cl2N3O2.C5H4Cl2N2/c1-25-15-23-20-18(12-19(22)24-21(20)25)26(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17;1-22-20-19(25(26)27)17(12-18(21)23-20)24(13-15-8-4-2-5-9-15)14-16-10-6-3-7-11-16;1-23-20-19(22)17(12-18(21)24-20)25(13-15-8-4-2-5-9-15)14-16-10-6-3-7-11-16;20-17-11-16(18(24(25)26)19(21)22-17)23(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15;6-3-1-2(8)4(10(11)12)5(7)9-3;6-4-1-3(8)2-5(7)9-4/h2-12,15H,13-14H2,1H3;2-12H,13-14H2,1H3,(H,22,23);2-12H,13-14,22H2,1H3,(H,23,24);1-11H,12-13H2;1H,(H2,8,9);1-2H,(H2,8,9).
What are the key properties of N,N-dibenzyl-5-chloro-3-methylimidazo[4,5-b]pyridin-7-amine;4-N,4-N-dibenzyl-6-chloro-2-N-methyl-3-nitropyridine-2,4-diamine;4-N,4-N-dibenzyl-6-chloro-2-N-methylpyridine-2,3,4-triamine;N,N-dibenzyl-2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine?
N,N-dibenzyl-5-chloro-3-methylimidazo[4,5-b]pyridin-7-amine;4-N,4-N-dibenzyl-6-chloro-2-N-methyl-3-nitropyridine-2,4-diamine;4-N,4-N-dibenzyl-6-chloro-2-N-methylpyridine-2,3,4-triamine;N,N-dibenzyl-2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine has a molecular weight of 1857.85 g/mol, XLogP of 23.64, 25 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-5-chloro-3-methylimidazo[4,5-b]pyridin-7-amine;4-N,4-N-dibenzyl-6-chloro-2-N-methyl-3-nitropyridine-2,4-diamine;4-N,4-N-dibenzyl-6-chloro-2-N-methylpyridine-2,3,4-triamine;N,N-dibenzyl-2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine is sourced from PubChem (CID 159905025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).