5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

C14H16N4O — CID 104639627

IUPAC5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)NCc2cccnc2)nc1
InChIInChI=1S/C14H16N4O/c1-2-16-12-5-6-13(17-10-12)14(19)18-9-11-4-3-7-15-8-11/h3-8,10,16H,2,9H2,1H3,(H,18,19)
InChIKeyXYJMRIVSJAQSAJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.84
Rot. Bonds5

About 5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 104639627) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID104639627
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)NCc2cccnc2)nc1
InChIInChI=1S/C14H16N4O/c1-2-16-12-5-6-13(17-10-12)14(19)18-9-11-4-3-7-15-8-11/h3-8,10,16H,2,9H2,1H3,(H,18,19)
InChIKeyXYJMRIVSJAQSAJ-UHFFFAOYSA-N
XLogP1.84
TPSA66.91 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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(ethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62184718
5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190073
N-(pyridin-3-ylmethyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191023
5-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191220
N-pentyl-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191345
5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190257
5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191251
N-(2-methoxyethyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109183851
5-(3,4-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191293
5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191185
N-[(4-bromophenyl)methyl]-5-(ethylamino)pyridine-2-carboxamide
CID 104639845
5-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191218

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 104639627) is 5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is CCNc1ccc(C(=O)NCc2cccnc2)nc1.
What is the InChIKey of 5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is XYJMRIVSJAQSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-16-12-5-6-13(17-10-12)14(19)18-9-11-4-3-7-15-8-11/h3-8,10,16H,2,9H2,1H3,(H,18,19).
What are the key properties of 5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 104639627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).