N-(2-aminophenyl)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide

C17H19N5O — CID 16662939

IUPACN-(2-aminophenyl)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(N2C[C@@H]3C[C@H]2CN3)nc1
InChIInChI=1S/C17H19N5O/c18-14-3-1-2-4-15(14)21-17(23)11-5-6-16(20-8-11)22-10-12-7-13(22)9-19-12/h1-6,8,12-13,19H,7,9-10,18H2,(H,21,23)/t12-,13-/m0/s1
InChIKeyWDPBIGFWZKRZAX-STQMWFEESA-N
MW309.37 g/mol
LogP1.47
Rot. Bonds3

About N-(2-aminophenyl)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide

N-(2-aminophenyl)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide (PubChem CID 16662939) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(2-aminophenyl)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide
PubChem CID16662939
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-(2-aminophenyl)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(N2C[C@@H]3C[C@H]2CN3)nc1
InChIInChI=1S/C17H19N5O/c18-14-3-1-2-4-15(14)21-17(23)11-5-6-16(20-8-11)22-10-12-7-13(22)9-19-12/h1-6,8,12-13,19H,7,9-10,18H2,(H,21,23)/t12-,13-/m0/s1
InChIKeyWDPBIGFWZKRZAX-STQMWFEESA-N
XLogP1.47
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-aminophenyl)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminophenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
CID 69085241
(1S,4S)-5-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-1-tert-butyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid
CID 69081842
N-(2-aminophenyl)-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxamide
CID 16662758
[(3S)-1-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2-(2-methoxyethyl)pyrrolidin-3-yl]carbamic acid
CID 123642305
benzyl (1S,5R)-3-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 16663009
pyridin-3-ylmethyl (1R,4R)-5-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylate
CID 16663150
2-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decane-8-carboxylic acid
CID 68900468
(2S)-4-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2-methyl-N-phenylpiperazine-1-carboxamide
CID 16662872
N-(2-aminophenyl)-6-(1,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 123593113
(2S)-4-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2-methyl-N-[(1R)-1-phenylethyl]piperazine-1-carboxamide
CID 16662874
5-N-(2-aminophenyl)-2-N-methylpyridine-2,5-dicarboxamide
CID 53245480
N-(2-aminophenyl)-6-[4-anilino-4-(methylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
CID 89175435

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-(2-aminophenyl)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide (CID 16662939) is N-(2-aminophenyl)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide is Nc1ccccc1NC(=O)c1ccc(N2C[C@@H]3C[C@H]2CN3)nc1.
What is the InChIKey of N-(2-aminophenyl)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide?
The InChIKey is WDPBIGFWZKRZAX-STQMWFEESA-N. The full InChI is InChI=1S/C17H19N5O/c18-14-3-1-2-4-15(14)21-17(23)11-5-6-16(20-8-11)22-10-12-7-13(22)9-19-12/h1-6,8,12-13,19H,7,9-10,18H2,(H,21,23)/t12-,13-/m0/s1.
What are the key properties of N-(2-aminophenyl)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide?
N-(2-aminophenyl)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 16662939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).