N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-4-methyl-5-nitropyridin-2-amine

C19H24FN5O2 — CID 133329276

IUPACN-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-4-methyl-5-nitropyridin-2-amine
SMILESCc1cc(Nc2ccc(N3CCC(N(C)C)CC3)c(F)c2)ncc1[N+](=O)[O-]
InChIInChI=1S/C19H24FN5O2/c1-13-10-19(21-12-18(13)25(26)27)22-14-4-5-17(16(20)11-14)24-8-6-15(7-9-24)23(2)3/h4-5,10-12,15H,6-9H2,1-3H3,(H,21,22)
InChIKeyLIGCBXCILJZTMD-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.71
Rot. Bonds5

About N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-4-methyl-5-nitropyridin-2-amine

N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-4-methyl-5-nitropyridin-2-amine (PubChem CID 133329276) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-4-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-4-methyl-5-nitropyridin-2-amine
PubChem CID133329276
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC NameN-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-4-methyl-5-nitropyridin-2-amine
SMILESCc1cc(Nc2ccc(N3CCC(N(C)C)CC3)c(F)c2)ncc1[N+](=O)[O-]
InChIInChI=1S/C19H24FN5O2/c1-13-10-19(21-12-18(13)25(26)27)22-14-4-5-17(16(20)11-14)24-8-6-15(7-9-24)23(2)3/h4-5,10-12,15H,6-9H2,1-3H3,(H,21,22)
InChIKeyLIGCBXCILJZTMD-UHFFFAOYSA-N
XLogP3.71
TPSA74.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-1-(4-methyl-2-nitrophenyl)piperidin-4-amine
CID 134485466
4-N-(4-methyl-5-nitro-2-pyridinyl)benzene-1,4-diamine
CID 79173729
3-N-(4-methyl-5-nitro-2-pyridinyl)benzene-1,3-diamine
CID 79173832
2-N-[4-(4-aminopiperidin-1-yl)-3-fluorophenyl]-6-N-methyl-3-nitropyridine-2,6-diamine
CID 67995077
2-N-methyl-5-N-(4-methyl-5-nitro-2-pyridinyl)pyridine-2,5-diamine
CID 71983733
1-[4-[[6-(tert-butylamino)-3-nitro-2-pyridinyl]amino]-2-fluorophenyl]piperidin-4-ol
CID 67995001
1-(2-fluoro-4-nitrophenyl)-N,N-dimethylpyrrolidin-3-amine
CID 91283730
1-[2-fluoro-4-[[6-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitro-2-pyridinyl]amino]phenyl]piperidin-4-ol
CID 67994687
3-N-ethyl-3-N-methyl-1-N-(4-methyl-5-nitro-2-pyridinyl)benzene-1,3-diamine
CID 133329240
4-methyl-5-nitro-N-[4-(oxan-4-ylmethoxy)phenyl]pyridin-2-amine
CID 133339951
3-[4-(dimethylamino)piperidin-1-yl]-4-nitrobenzaldehyde
CID 71651767
(3R)-N-ethyl-N-methyl-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-amine
CID 99791620

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-4-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-4-methyl-5-nitropyridin-2-amine (CID 133329276) is N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-4-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-4-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-4-methyl-5-nitropyridin-2-amine is Cc1cc(Nc2ccc(N3CCC(N(C)C)CC3)c(F)c2)ncc1[N+](=O)[O-].
What is the InChIKey of N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-4-methyl-5-nitropyridin-2-amine?
The InChIKey is LIGCBXCILJZTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2/c1-13-10-19(21-12-18(13)25(26)27)22-14-4-5-17(16(20)11-14)24-8-6-15(7-9-24)23(2)3/h4-5,10-12,15H,6-9H2,1-3H3,(H,21,22).
What are the key properties of N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-4-methyl-5-nitropyridin-2-amine?
N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-4-methyl-5-nitropyridin-2-amine has a molecular weight of 373.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-4-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 133329276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).