2-[2-(aminomethyl)anilino]pyridine-3-carboxamide

C13H14N4O — CID 55241412

IUPAC2-[2-(aminomethyl)anilino]pyridine-3-carboxamide
SMILESNCc1ccccc1Nc1ncccc1C(N)=O
InChIInChI=1S/C13H14N4O/c14-8-9-4-1-2-6-11(9)17-13-10(12(15)18)5-3-7-16-13/h1-7H,8,14H2,(H2,15,18)(H,16,17)
InChIKeyKWMPECXZJMVHTE-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.38
Rot. Bonds4

About 2-[2-(aminomethyl)anilino]pyridine-3-carboxamide

2-[2-(aminomethyl)anilino]pyridine-3-carboxamide (PubChem CID 55241412) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[2-(aminomethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)anilino]pyridine-3-carboxamide
PubChem CID55241412
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-[2-(aminomethyl)anilino]pyridine-3-carboxamide
SMILESNCc1ccccc1Nc1ncccc1C(N)=O
InChIInChI=1S/C13H14N4O/c14-8-9-4-1-2-6-11(9)17-13-10(12(15)18)5-3-7-16-13/h1-7H,8,14H2,(H2,15,18)(H,16,17)
InChIKeyKWMPECXZJMVHTE-UHFFFAOYSA-N
XLogP1.38
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(pyridin-2-ylamino)pyridine-3-carboxamide
CID 172773445
2-[2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]phenyl]acetic acid
CID 81313236
N-[2-(aminomethyl)phenyl]pyrimidin-2-amine
CID 63760524
2-(5-chloro-2-fluoroanilino)pyridine-3-carboxamide
CID 165177944
2-(4-aminobutylamino)pyridine-3-carboxamide
CID 54122437
4-[2-(aminomethyl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
CID 154079084
2-(4-chloro-2-methylanilino)pyridine-3-carboxamide
CID 901918
2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide
CID 43311020
N-[2-(aminomethyl)phenyl]pyridine-2-carboxamide
CID 16773462
2-(2-pyridin-2-ylethylamino)benzamide
CID 70453940
2-(3-aminobutylamino)pyridine-3-carboxamide
CID 63251486
2-amino-N-[3-(aminomethyl)-2-pyridinyl]acetamide
CID 83618855

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of 2-[2-(aminomethyl)anilino]pyridine-3-carboxamide (CID 55241412) is 2-[2-(aminomethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(aminomethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-(aminomethyl)anilino]pyridine-3-carboxamide is NCc1ccccc1Nc1ncccc1C(N)=O.
What is the InChIKey of 2-[2-(aminomethyl)anilino]pyridine-3-carboxamide?
The InChIKey is KWMPECXZJMVHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c14-8-9-4-1-2-6-11(9)17-13-10(12(15)18)5-3-7-16-13/h1-7H,8,14H2,(H2,15,18)(H,16,17).
What are the key properties of 2-[2-(aminomethyl)anilino]pyridine-3-carboxamide?
2-[2-(aminomethyl)anilino]pyridine-3-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 55241412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).