4-[3-(aminomethyl)anilino]-N-methylpyridine-2-carboxamide

C14H16N4O — CID 55241023

IUPAC4-[3-(aminomethyl)anilino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Nc2cccc(CN)c2)ccn1
InChIInChI=1S/C14H16N4O/c1-16-14(19)13-8-12(5-6-17-13)18-11-4-2-3-10(7-11)9-15/h2-8H,9,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyAOADYFIHAPTMQN-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.64
Rot. Bonds4

About 4-[3-(aminomethyl)anilino]-N-methylpyridine-2-carboxamide

4-[3-(aminomethyl)anilino]-N-methylpyridine-2-carboxamide (PubChem CID 55241023) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[3-(aminomethyl)anilino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-(aminomethyl)anilino]-N-methylpyridine-2-carboxamide
PubChem CID55241023
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-[3-(aminomethyl)anilino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Nc2cccc(CN)c2)ccn1
InChIInChI=1S/C14H16N4O/c1-16-14(19)13-8-12(5-6-17-13)18-11-4-2-3-10(7-11)9-15/h2-8H,9,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyAOADYFIHAPTMQN-UHFFFAOYSA-N
XLogP1.64
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-hydroxyanilino)-N-methylpyridine-2-carboxamide
CID 25128735
4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 43517715
3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline
CID 174680323
3-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]benzoic acid
CID 60893530
4-[(4-aminophenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 60874908
4-[(4-amino-2,2-dimethylbutyl)amino]-N-methylpyridine-2-carboxamide
CID 114149238
4-[(1-ethylpyrazol-4-yl)amino]-N-methylpyridine-2-carboxamide
CID 43543672
4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide
CID 109209720
4-(3-acetamidoanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213605
4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 59685040
4-(2,2-dimethylhydrazinyl)-N-methylpyridine-2-carboxamide
CID 83025450
methyl 3-[3-(aminomethyl)anilino]benzoate
CID 117027328

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)anilino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[3-(aminomethyl)anilino]-N-methylpyridine-2-carboxamide (CID 55241023) is 4-[3-(aminomethyl)anilino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-(aminomethyl)anilino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-(aminomethyl)anilino]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Nc2cccc(CN)c2)ccn1.
What is the InChIKey of 4-[3-(aminomethyl)anilino]-N-methylpyridine-2-carboxamide?
The InChIKey is AOADYFIHAPTMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-16-14(19)13-8-12(5-6-17-13)18-11-4-2-3-10(7-11)9-15/h2-8H,9,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-[3-(aminomethyl)anilino]-N-methylpyridine-2-carboxamide?
4-[3-(aminomethyl)anilino]-N-methylpyridine-2-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)anilino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 55241023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).