2,6-dichloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

C12H9Cl2N3O — CID 113227298

IUPAC2,6-dichloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(Cl)nc1Cl
InChIInChI=1S/C12H9Cl2N3O/c13-10-2-1-9(11(14)17-10)12(18)16-7-8-3-5-15-6-4-8/h1-6H,7H2,(H,16,18)
InChIKeyNPLQQQCCJFMUNT-UHFFFAOYSA-N
MW282.13 g/mol
LogP2.71
Rot. Bonds3

About 2,6-dichloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

2,6-dichloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 113227298) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is 2,6-dichloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID113227298
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC Name2,6-dichloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(Cl)nc1Cl
InChIInChI=1S/C12H9Cl2N3O/c13-10-2-1-9(11(14)17-10)12(18)16-7-8-3-5-15-6-4-8/h1-6H,7H2,(H,16,18)
InChIKeyNPLQQQCCJFMUNT-UHFFFAOYSA-N
XLogP2.71
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 4165114
6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 171835152
6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 62232710
2,6-dichloro-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 71881348
N-(4-aminobutyl)-2,6-dichloropyridine-3-carboxamide
CID 106993576
N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide
CID 106993229
2,6-dichloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 106994204
2,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 106993375
2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 110763497
2,6-dichloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]pyridine-3-carboxamide
CID 71881346
2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 106994483
2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 107851393

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (CID 113227298) is 2,6-dichloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ccncc1)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is NPLQQQCCJFMUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c13-10-2-1-9(11(14)17-10)12(18)16-7-8-3-5-15-6-4-8/h1-6H,7H2,(H,16,18).
What are the key properties of 2,6-dichloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
2,6-dichloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 282.13 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 113227298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).