6-amino-N-[(4-aminophenyl)methyl]pyridine-3-carboxamide

C13H14N4O — CID 89088351

IUPAC6-amino-N-[(4-aminophenyl)methyl]pyridine-3-carboxamide
SMILESNc1ccc(CNC(=O)c2ccc(N)nc2)cc1
InChIInChI=1S/C13H14N4O/c14-11-4-1-9(2-5-11)7-17-13(18)10-3-6-12(15)16-8-10/h1-6,8H,7,14H2,(H2,15,16)(H,17,18)
InChIKeyXVKFNTBNKRMAEY-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.18
Rot. Bonds3

About 6-amino-N-[(4-aminophenyl)methyl]pyridine-3-carboxamide

6-amino-N-[(4-aminophenyl)methyl]pyridine-3-carboxamide (PubChem CID 89088351) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 6-amino-N-[(4-aminophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(4-aminophenyl)methyl]pyridine-3-carboxamide
PubChem CID89088351
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name6-amino-N-[(4-aminophenyl)methyl]pyridine-3-carboxamide
SMILESNc1ccc(CNC(=O)c2ccc(N)nc2)cc1
InChIInChI=1S/C13H14N4O/c14-11-4-1-9(2-5-11)7-17-13(18)10-3-6-12(15)16-8-10/h1-6,8H,7,14H2,(H2,15,16)(H,17,18)
InChIKeyXVKFNTBNKRMAEY-UHFFFAOYSA-N
XLogP1.18
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 55152846
6-amino-N-ethylpyridine-3-carboxamide
CID 62073744
6-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 62073001
6-amino-N-(1H-imidazol-2-ylmethyl)pyridine-3-carboxamide
CID 64525972
6-bromo-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide
CID 115670742
N-[(4-aminophenyl)methyl]-4-methylsulfonylbenzamide
CID 60892970
6-amino-N-(5-amino-5-oxopentyl)pyridine-3-carboxamide
CID 114162800
6-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide
CID 62160023
6-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 62072605
6-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 51370237
6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 112671966
4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 3069013

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(4-aminophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-[(4-aminophenyl)methyl]pyridine-3-carboxamide (CID 89088351) is 6-amino-N-[(4-aminophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[(4-aminophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-[(4-aminophenyl)methyl]pyridine-3-carboxamide is Nc1ccc(CNC(=O)c2ccc(N)nc2)cc1.
What is the InChIKey of 6-amino-N-[(4-aminophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is XVKFNTBNKRMAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c14-11-4-1-9(2-5-11)7-17-13(18)10-3-6-12(15)16-8-10/h1-6,8H,7,14H2,(H2,15,16)(H,17,18).
What are the key properties of 6-amino-N-[(4-aminophenyl)methyl]pyridine-3-carboxamide?
6-amino-N-[(4-aminophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(4-aminophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 89088351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).