4-chloro-N-[1-(3-chlorophenyl)propan-2-yl]pyridine-3-carboxamide

C15H14Cl2N2O — CID 81227390

IUPAC4-chloro-N-[1-(3-chlorophenyl)propan-2-yl]pyridine-3-carboxamide
SMILESCC(Cc1cccc(Cl)c1)NC(=O)c1cnccc1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-10(7-11-3-2-4-12(16)8-11)19-15(20)13-9-18-6-5-14(13)17/h2-6,8-10H,7H2,1H3,(H,19,20)
InChIKeyGPKDBTDVEFTXDJ-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.75
Rot. Bonds4

About 4-chloro-N-[1-(3-chlorophenyl)propan-2-yl]pyridine-3-carboxamide

4-chloro-N-[1-(3-chlorophenyl)propan-2-yl]pyridine-3-carboxamide (PubChem CID 81227390) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 4-chloro-N-[1-(3-chlorophenyl)propan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-(3-chlorophenyl)propan-2-yl]pyridine-3-carboxamide
PubChem CID81227390
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name4-chloro-N-[1-(3-chlorophenyl)propan-2-yl]pyridine-3-carboxamide
SMILESCC(Cc1cccc(Cl)c1)NC(=O)c1cnccc1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-10(7-11-3-2-4-12(16)8-11)19-15(20)13-9-18-6-5-14(13)17/h2-6,8-10H,7H2,1H3,(H,19,20)
InChIKeyGPKDBTDVEFTXDJ-UHFFFAOYSA-N
XLogP3.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide
CID 51728766
4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 102673766
4-chloro-N-(1-cyanopropan-2-yl)pyridine-3-carboxamide
CID 81226543
4-(bromomethyl)-N-[1-(3-chlorophenyl)propan-2-yl]benzamide
CID 102851122
4-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 81225135
N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide
CID 62637658
N-[1-(3-chlorophenyl)propan-2-yl]-2-(propan-2-ylamino)acetamide
CID 60843071
4-chloro-N-(2-methylpentan-3-yl)pyridine-3-carboxamide
CID 81226748
(3-chlorophenyl)methyl 4-chloropyridine-3-carboxylate
CID 115885965
1-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)propan-2-amine
CID 43694798
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide
CID 43705773
(E)-4-[1-(3-chlorophenyl)propan-2-ylamino]-4-oxobut-2-enoic acid
CID 54867885

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(3-chlorophenyl)propan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[1-(3-chlorophenyl)propan-2-yl]pyridine-3-carboxamide (CID 81227390) is 4-chloro-N-[1-(3-chlorophenyl)propan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-(3-chlorophenyl)propan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[1-(3-chlorophenyl)propan-2-yl]pyridine-3-carboxamide is CC(Cc1cccc(Cl)c1)NC(=O)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-[1-(3-chlorophenyl)propan-2-yl]pyridine-3-carboxamide?
The InChIKey is GPKDBTDVEFTXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-10(7-11-3-2-4-12(16)8-11)19-15(20)13-9-18-6-5-14(13)17/h2-6,8-10H,7H2,1H3,(H,19,20).
What are the key properties of 4-chloro-N-[1-(3-chlorophenyl)propan-2-yl]pyridine-3-carboxamide?
4-chloro-N-[1-(3-chlorophenyl)propan-2-yl]pyridine-3-carboxamide has a molecular weight of 309.20 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(3-chlorophenyl)propan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 81227390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).