6-[[2-(aminomethyl)phenyl]methylamino]pyridine-2-carboxamide

C14H16N4O — CID 64590181

IUPAC6-[[2-(aminomethyl)phenyl]methylamino]pyridine-2-carboxamide
SMILESNCc1ccccc1CNc1cccc(C(N)=O)n1
InChIInChI=1S/C14H16N4O/c15-8-10-4-1-2-5-11(10)9-17-13-7-3-6-12(18-13)14(16)19/h1-7H,8-9,15H2,(H2,16,19)(H,17,18)
InChIKeyOXMWLPGPAFAALS-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.25
Rot. Bonds5

About 6-[[2-(aminomethyl)phenyl]methylamino]pyridine-2-carboxamide

6-[[2-(aminomethyl)phenyl]methylamino]pyridine-2-carboxamide (PubChem CID 64590181) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-[[2-(aminomethyl)phenyl]methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[2-(aminomethyl)phenyl]methylamino]pyridine-2-carboxamide
PubChem CID64590181
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name6-[[2-(aminomethyl)phenyl]methylamino]pyridine-2-carboxamide
SMILESNCc1ccccc1CNc1cccc(C(N)=O)n1
InChIInChI=1S/C14H16N4O/c15-8-10-4-1-2-5-11(10)9-17-13-7-3-6-12(18-13)14(16)19/h1-7H,8-9,15H2,(H2,16,19)(H,17,18)
InChIKeyOXMWLPGPAFAALS-UHFFFAOYSA-N
XLogP1.25
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(naphthalen-1-ylmethylamino)pyridine-2-carboxylic acid
CID 62369628
3-[[(6-carbamoyl-2-pyridinyl)amino]methyl]benzoic acid
CID 64588943
6-(2-aminopropylamino)pyridine-2-carboxamide
CID 64588003
6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid
CID 62879966
6-benzamidopyridine-2-carboxamide
CID 69135492
[2-(aminomethyl)phenyl]methylurea
CID 62949906
6-(aminomethyl)pyridine-2-carboxamide;hydrochloride
CID 68864841
7-[(6-carbamoyl-2-pyridinyl)amino]heptanoic acid
CID 64588541
6-[(2-amino-2-cyclopropylethyl)amino]pyridine-2-carboxamide
CID 115301548
6-[3-(ethylamino)propylamino]pyridine-2-carboxamide
CID 64587795
6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carboxamide
CID 113283634
6-[(2-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-2-carboxylic acid
CID 122053220

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(aminomethyl)phenyl]methylamino]pyridine-2-carboxamide?
The IUPAC name of 6-[[2-(aminomethyl)phenyl]methylamino]pyridine-2-carboxamide (CID 64590181) is 6-[[2-(aminomethyl)phenyl]methylamino]pyridine-2-carboxamide.
What is the SMILES notation for 6-[[2-(aminomethyl)phenyl]methylamino]pyridine-2-carboxamide?
The canonical SMILES for 6-[[2-(aminomethyl)phenyl]methylamino]pyridine-2-carboxamide is NCc1ccccc1CNc1cccc(C(N)=O)n1.
What is the InChIKey of 6-[[2-(aminomethyl)phenyl]methylamino]pyridine-2-carboxamide?
The InChIKey is OXMWLPGPAFAALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-8-10-4-1-2-5-11(10)9-17-13-7-3-6-12(18-13)14(16)19/h1-7H,8-9,15H2,(H2,16,19)(H,17,18).
What are the key properties of 6-[[2-(aminomethyl)phenyl]methylamino]pyridine-2-carboxamide?
6-[[2-(aminomethyl)phenyl]methylamino]pyridine-2-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(aminomethyl)phenyl]methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 64590181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).