2-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide

C19H16ClN3O2 — CID 175688676

IUPAC2-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1c(-c2ccc(Cc3ccc(Cl)cc3)cn2)c(C(N)=O)ccc1=O
InChIInChI=1S/C19H16ClN3O2/c1-23-17(24)9-7-15(19(21)25)18(23)16-8-4-13(11-22-16)10-12-2-5-14(20)6-3-12/h2-9,11H,10H2,1H3,(H2,21,25)
InChIKeyAJWPSKUPPLADQG-UHFFFAOYSA-N
MW353.81 g/mol
LogP2.79
Rot. Bonds4

About 2-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide

2-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 175688676) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name2-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID175688676
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name2-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1c(-c2ccc(Cc3ccc(Cl)cc3)cn2)c(C(N)=O)ccc1=O
InChIInChI=1S/C19H16ClN3O2/c1-23-17(24)9-7-15(19(21)25)18(23)16-8-4-13(11-22-16)10-12-2-5-14(20)6-3-12/h2-9,11H,10H2,1H3,(H2,21,25)
InChIKeyAJWPSKUPPLADQG-UHFFFAOYSA-N
XLogP2.79
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 175689158
2-chloro-1-methyl-6-oxopyridine-3-carboxamide
CID 90225009
4-[1-[(4-chlorophenyl)methyl]-6-oxopyridazin-3-yl]benzamide
CID 148783053
2-[6-[(3-chlorophenyl)methyl]pyridazin-3-yl]-1-ethyl-6-oxopyridine-3-carboxamide
CID 175689016
5-[(4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)pyridine-2-carboxamide
CID 139522140
N-[5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 139522097
6-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-4-methylpyridine-3-carboxamide
CID 136545594
N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1,2-dimethyl-5-oxopyrazole-3-carboxamide
CID 167579005
5-[(4-chlorophenyl)methyl]-1-methylpyrazole-4-carboxylic acid
CID 14747589
1-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-5-yl]ethanol
CID 115086885
6-ethyl-5-(5-ethyl-2-pyridinyl)-2-oxo-1H-pyridine-3-carboxamide
CID 20515035
4-[(4-chlorophenyl)methoxy]-2,3-dimethylbenzamide
CID 23219702

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 2-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 175688676) is 2-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 2-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 2-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide is Cn1c(-c2ccc(Cc3ccc(Cl)cc3)cn2)c(C(N)=O)ccc1=O.
What is the InChIKey of 2-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is AJWPSKUPPLADQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-23-17(24)9-7-15(19(21)25)18(23)16-8-4-13(11-22-16)10-12-2-5-14(20)6-3-12/h2-9,11H,10H2,1H3,(H2,21,25).
What are the key properties of 2-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide?
2-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 175688676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).