2-(aminomethyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide

C14H16N4O — CID 112530316

IUPAC2-(aminomethyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NCCc2cccnc2)ccn1
InChIInChI=1S/C14H16N4O/c15-9-13-8-12(4-7-17-13)14(19)18-6-3-11-2-1-5-16-10-11/h1-2,4-5,7-8,10H,3,6,9,15H2,(H,18,19)
InChIKeyYGTRDVOHNBEIET-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.91
Rot. Bonds5

About 2-(aminomethyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide

2-(aminomethyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide (PubChem CID 112530316) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
PubChem CID112530316
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-(aminomethyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NCCc2cccnc2)ccn1
InChIInChI=1S/C14H16N4O/c15-9-13-8-12(4-7-17-13)14(19)18-6-3-11-2-1-5-16-10-11/h1-2,4-5,7-8,10H,3,6,9,15H2,(H,18,19)
InChIKeyYGTRDVOHNBEIET-UHFFFAOYSA-N
XLogP0.91
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 60895534
2-bromo-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 103752224
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104782485
2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 112529343
4-amino-3,5-difluoro-N-(2-pyridin-3-ylethyl)benzamide
CID 63185192
4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 67386076
N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24661254
N-(2-pyridin-3-ylethyl)-1,3-benzothiazole-6-carboxamide
CID 31398756
3-methyl-4-(methylamino)-N-(2-pyridin-3-ylethyl)benzamide
CID 63210322
2-amino-6-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 55041746

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide (CID 112530316) is 2-(aminomethyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide is NCc1cc(C(=O)NCCc2cccnc2)ccn1.
What is the InChIKey of 2-(aminomethyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide?
The InChIKey is YGTRDVOHNBEIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-9-13-8-12(4-7-17-13)14(19)18-6-3-11-2-1-5-16-10-11/h1-2,4-5,7-8,10H,3,6,9,15H2,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 112530316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).