5,6-dichloro-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide

C18H13Cl2N3O — CID 46799163

IUPAC5,6-dichloro-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cc2ccncc2)cc1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C18H13Cl2N3O/c19-16-10-14(11-22-17(16)20)18(24)23-15-3-1-12(2-4-15)9-13-5-7-21-8-6-13/h1-8,10-11H,9H2,(H,23,24)
InChIKeyYHZORJMRZBZDRX-UHFFFAOYSA-N
MW358.23 g/mol
LogP4.63
Rot. Bonds4

About 5,6-dichloro-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide

5,6-dichloro-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide (PubChem CID 46799163) has the molecular formula C18H13Cl2N3O and a molecular weight of 358.23 g/mol. Its IUPAC name is 5,6-dichloro-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide
PubChem CID46799163
Molecular FormulaC18H13Cl2N3O
Molecular Weight358.23 g/mol
Exact Mass357.04
IUPAC Name5,6-dichloro-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cc2ccncc2)cc1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C18H13Cl2N3O/c19-16-10-14(11-22-17(16)20)18(24)23-15-3-1-12(2-4-15)9-13-5-7-21-8-6-13/h1-8,10-11H,9H2,(H,23,24)
InChIKeyYHZORJMRZBZDRX-UHFFFAOYSA-N
XLogP4.63
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 54.63
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

5,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide
CID 51985204
N-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7760364
5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 2477549
N-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide
CID 7935724
4-chloro-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 1366188
N-(3-bromophenyl)-5,6-dichloropyridine-3-carboxamide
CID 2095074
N-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide
CID 2471203
5,6-dichloro-N-(1H-indazol-5-yl)pyridine-3-carboxamide
CID 60712400
5,6-dichloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 107573379
5,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 52545770
3,5-dichloro-N-[4-[[4-[(3,5-dichlorobenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 3995292
4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 46799159

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide (CID 46799163) is 5,6-dichloro-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(Cc2ccncc2)cc1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is YHZORJMRZBZDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O/c19-16-10-14(11-22-17(16)20)18(24)23-15-3-1-12(2-4-15)9-13-5-7-21-8-6-13/h1-8,10-11H,9H2,(H,23,24).
What are the key properties of 5,6-dichloro-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide?
5,6-dichloro-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 358.23 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 46799163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).