2-amino-6-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide

C13H13ClN4O — CID 55041746

IUPAC2-amino-6-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCCc2cccnc2)cc(Cl)n1
InChIInChI=1S/C13H13ClN4O/c14-11-6-10(7-12(15)18-11)13(19)17-5-3-9-2-1-4-16-8-9/h1-2,4,6-8H,3,5H2,(H2,15,18)(H,17,19)
InChIKeyZUKZNAHWQFSLRH-UHFFFAOYSA-N
MW276.73 g/mol
LogP1.68
Rot. Bonds4

About 2-amino-6-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide

2-amino-6-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide (PubChem CID 55041746) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
PubChem CID55041746
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name2-amino-6-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCCc2cccnc2)cc(Cl)n1
InChIInChI=1S/C13H13ClN4O/c14-11-6-10(7-12(15)18-11)13(19)17-5-3-9-2-1-4-16-8-9/h1-2,4,6-8H,3,5H2,(H2,15,18)(H,17,19)
InChIKeyZUKZNAHWQFSLRH-UHFFFAOYSA-N
XLogP1.68
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-amino-3,5-difluoro-N-(2-pyridin-3-ylethyl)benzamide
CID 63185192
2-amino-6-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 62152506
4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
3,6-dichloro-N-(2-pyridin-3-ylethyl)pyridazine-4-carboxamide
CID 114038414
3-(aminomethyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 60895534
2-(aminomethyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 112530316
2-amino-6-chloro-N-(2-pyridin-3-ylethyl)benzamide
CID 55244513
2-amino-6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104694768
N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24661254
4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104782485
2-bromo-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 103752224
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide (CID 55041746) is 2-amino-6-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide is Nc1cc(C(=O)NCCc2cccnc2)cc(Cl)n1.
What is the InChIKey of 2-amino-6-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide?
The InChIKey is ZUKZNAHWQFSLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c14-11-6-10(7-12(15)18-11)13(19)17-5-3-9-2-1-4-16-8-9/h1-2,4,6-8H,3,5H2,(H2,15,18)(H,17,19).
What are the key properties of 2-amino-6-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide?
2-amino-6-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide has a molecular weight of 276.73 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 55041746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).