2-(4-chlorophenyl)-3-pyridin-2-yl-N-(pyridin-4-ylmethyl)propanamide

C20H18ClN3O — CID 110296687

IUPAC2-(4-chlorophenyl)-3-pyridin-2-yl-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(NCc1ccncc1)C(Cc1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O/c21-17-6-4-16(5-7-17)19(13-18-3-1-2-10-23-18)20(25)24-14-15-8-11-22-12-9-15/h1-12,19H,13-14H2,(H,24,25)
InChIKeyVYZWZXVAKIFHMS-UHFFFAOYSA-N
MW351.84 g/mol
LogP3.77
Rot. Bonds6

About 2-(4-chlorophenyl)-3-pyridin-2-yl-N-(pyridin-4-ylmethyl)propanamide

2-(4-chlorophenyl)-3-pyridin-2-yl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 110296687) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-pyridin-2-yl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-pyridin-2-yl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID110296687
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name2-(4-chlorophenyl)-3-pyridin-2-yl-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(NCc1ccncc1)C(Cc1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O/c21-17-6-4-16(5-7-17)19(13-18-3-1-2-10-23-18)20(25)24-14-15-8-11-22-12-9-15/h1-12,19H,13-14H2,(H,24,25)
InChIKeyVYZWZXVAKIFHMS-UHFFFAOYSA-N
XLogP3.77
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-2-ylpropanamide
CID 110296675
2-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]-3-pyridin-2-ylpropanamide
CID 110296673
2-phenyl-3-pyridin-4-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410530
2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpropanamide
CID 110296640
2-phenyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410528
2-(4-fluorophenyl)-3-pyridin-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 110296305
2-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-3-pyridin-2-ylpropanamide
CID 110296691
2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpropanamide
CID 110296296
N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947438
2-(4-chlorophenyl)-N-(2-cyanophenyl)-3-pyridin-2-ylpropanamide
CID 110296725
2-(4-chlorophenyl)-N-(2,4-difluorophenyl)-3-pyridin-2-ylpropanamide
CID 110296724
methyl 3-[[2-(4-chlorophenyl)-3-pyridin-2-ylpropanoyl]amino]benzoate
CID 110296720

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-pyridin-2-yl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)-3-pyridin-2-yl-N-(pyridin-4-ylmethyl)propanamide (CID 110296687) is 2-(4-chlorophenyl)-3-pyridin-2-yl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-3-pyridin-2-yl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)-3-pyridin-2-yl-N-(pyridin-4-ylmethyl)propanamide is O=C(NCc1ccncc1)C(Cc1ccccn1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-pyridin-2-yl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is VYZWZXVAKIFHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c21-17-6-4-16(5-7-17)19(13-18-3-1-2-10-23-18)20(25)24-14-15-8-11-22-12-9-15/h1-12,19H,13-14H2,(H,24,25).
What are the key properties of 2-(4-chlorophenyl)-3-pyridin-2-yl-N-(pyridin-4-ylmethyl)propanamide?
2-(4-chlorophenyl)-3-pyridin-2-yl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 351.84 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-pyridin-2-yl-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 110296687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).