2-chloro-3,5-dimethylpyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid

C49H63ClN10O5 — CID 158243859

IUPAC2-chloro-3,5-dimethylpyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1cnc(Cl)c(C)c1.Cc1cnc(NC2CCCCC2)c(N)c1.NC1CCCCC1.O=C(O)c1ccc(=O)[nH]c1.O=C(O)c1cnc2c(c1)nc(-c1ccccn1)n2C1CCCCC1
InChIInChI=1S/C18H18N4O2.C12H19N3.C7H8ClN.C6H5NO3.C6H13N/c23-18(24)12-10-15-16(20-11-12)22(13-6-2-1-3-7-13)17(21-15)14-8-4-5-9-19-14;1-9-7-11(13)12(14-8-9)15-10-5-3-2-4-6-10;1-5-3-6(2)7(8)9-4-5;8-5-2-1-4(3-7-5)6(9)10;7-6-4-2-1-3-5-6/h4-5,8-11,13H,1-3,6-7H2,(H,23,24);7-8,10H,2-6,13H2,1H3,(H,14,15);3-4H,1-2H3;1-3H,(H,7,8)(H,9,10);6H,1-5,7H2
InChIKeyGFWOBRZDKRGCIN-UHFFFAOYSA-N
MW907.56 g/mol
LogP10.12
Rot. Bonds6

About 2-chloro-3,5-dimethylpyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid

2-chloro-3,5-dimethylpyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 158243859) has the molecular formula C49H63ClN10O5 and a molecular weight of 907.56 g/mol. Its IUPAC name is 2-chloro-3,5-dimethylpyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-3,5-dimethylpyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID158243859
Molecular FormulaC49H63ClN10O5
Molecular Weight907.56 g/mol
Exact Mass906.47
IUPAC Name2-chloro-3,5-dimethylpyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1cnc(Cl)c(C)c1.Cc1cnc(NC2CCCCC2)c(N)c1.NC1CCCCC1.O=C(O)c1ccc(=O)[nH]c1.O=C(O)c1cnc2c(c1)nc(-c1ccccn1)n2C1CCCCC1
InChIInChI=1S/C18H18N4O2.C12H19N3.C7H8ClN.C6H5NO3.C6H13N/c23-18(24)12-10-15-16(20-11-12)22(13-6-2-1-3-7-13)17(21-15)14-8-4-5-9-19-14;1-9-7-11(13)12(14-8-9)15-10-5-3-2-4-6-10;1-5-3-6(2)7(8)9-4-5;8-5-2-1-4(3-7-5)6(9)10;7-6-4-2-1-3-5-6/h4-5,8-11,13H,1-3,6-7H2,(H,23,24);7-8,10H,2-6,13H2,1H3,(H,14,15);3-4H,1-2H3;1-3H,(H,7,8)(H,9,10);6H,1-5,7H2
InChIKeyGFWOBRZDKRGCIN-UHFFFAOYSA-N
XLogP10.12
TPSA240.91 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500907.56
LogP ≤ 510.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-chloro-3,5-dimethylpyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

6-[[2-[2-(6-Chloro-3-pyridinyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylacetyl]amino]pyridine-3-carboxylic acid
CID 44197556
6-[Acetyl-[1-[2-(6-chloro-3-pyridinyl)-5,6-difluorobenzimidazol-1-yl]cyclohexyl]amino]pyridine-3-carboxylic acid
CID 90754272
6-[Acetyl-[1-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]cyclohexyl]amino]pyridine-3-carboxylic acid
CID 91046514
N-[6-chloro-2-(ethylamino)-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;6-chloro-2-N-ethylpyridine-2,3-diamine;5-chloro-3-ethyl-2-[4-(trifluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 157606180
N-[6-chloro-2-(ethylamino)-3-pyridinyl]-4-methylpyrimidine-5-carboxamide;5-chloro-3-ethyl-2-(4-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;6-chloro-2-N-ethylpyridine-2,3-diamine;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 160969733
6-[4-[3-(4-Chloro-3-fluorophenyl)-1-(pyrazin-2-ylmethyl)pyrrolo[2,3-b]pyridine-6-carbonyl]-3,3-dimethylpiperazin-1-yl]-2,4-dimethylpyridine-3-carboxylic acid
CID 163389427
6-[4-[3-(4-Chloro-3-fluorophenyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-6-carbonyl]-3,3-dimethylpiperazin-1-yl]-2,4-dimethylpyridine-3-carboxylic acid
CID 163389448
6-[[1-[1-Tert-butyl-3-(4-chloro-3-fluorophenyl)pyrrolo[2,3-b]pyridine-6-carbonyl]-3-methylpiperidin-4-yl]amino]-2,4-dimethylpyridine-3-carboxylic acid
CID 163389562
6-[4-[3-(4-Chloro-3-fluorophenyl)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-6-carbonyl]-3,3-dimethylpiperazin-1-yl]-2,4-dimethylpyridine-3-carboxylic acid
CID 163389567
6-[[1-[1-Tert-butyl-3-(4-chloro-3-fluorophenyl)pyrrolo[2,3-b]pyridine-6-carbonyl]piperidine-4-carbonyl]amino]-2,4-dimethylpyridine-3-carboxylic acid
CID 163389701
6-[4-[3-(4-Chloro-3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-6-carbonyl]-3,3-dimethylpiperazin-1-yl]-2,4-dimethylpyridine-3-carboxylic acid
CID 163389732
6-[4-[3-(4-Chloro-3-fluorophenyl)-1-(pyridin-4-ylmethyl)pyrrolo[2,3-b]pyridine-6-carbonyl]-3,3-dimethylpiperazin-1-yl]-2,4-dimethylpyridine-3-carboxylic acid
CID 163389745

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,5-dimethylpyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-3,5-dimethylpyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid (CID 158243859) is 2-chloro-3,5-dimethylpyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-3,5-dimethylpyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-3,5-dimethylpyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid is Cc1cnc(Cl)c(C)c1.Cc1cnc(NC2CCCCC2)c(N)c1.NC1CCCCC1.O=C(O)c1ccc(=O)[nH]c1.O=C(O)c1cnc2c(c1)nc(-c1ccccn1)n2C1CCCCC1.
What is the InChIKey of 2-chloro-3,5-dimethylpyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is GFWOBRZDKRGCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2.C12H19N3.C7H8ClN.C6H5NO3.C6H13N/c23-18(24)12-10-15-16(20-11-12)22(13-6-2-1-3-7-13)17(21-15)14-8-4-5-9-19-14;1-9-7-11(13)12(14-8-9)15-10-5-3-2-4-6-10;1-5-3-6(2)7(8)9-4-5;8-5-2-1-4(3-7-5)6(9)10;7-6-4-2-1-3-5-6/h4-5,8-11,13H,1-3,6-7H2,(H,23,24);7-8,10H,2-6,13H2,1H3,(H,14,15);3-4H,1-2H3;1-3H,(H,7,8)(H,9,10);6H,1-5,7H2.
What are the key properties of 2-chloro-3,5-dimethylpyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid?
2-chloro-3,5-dimethylpyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 907.56 g/mol, XLogP of 10.12, 6 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,5-dimethylpyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 158243859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).