N-[4-[(3-chlorophenyl)methyl]cyclohexyl]-1-methyl-6-oxopyridine-3-carboxamide

C20H23ClN2O2 — CID 155153026

IUPACN-[4-[(3-chlorophenyl)methyl]cyclohexyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)NC2CCC(Cc3cccc(Cl)c3)CC2)ccc1=O
InChIInChI=1S/C20H23ClN2O2/c1-23-13-16(7-10-19(23)24)20(25)22-18-8-5-14(6-9-18)11-15-3-2-4-17(21)12-15/h2-4,7,10,12-14,18H,5-6,8-9,11H2,1H3,(H,22,25)
InChIKeySUHUJBYCHBUEIC-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.57
Rot. Bonds4

About N-[4-[(3-chlorophenyl)methyl]cyclohexyl]-1-methyl-6-oxopyridine-3-carboxamide

N-[4-[(3-chlorophenyl)methyl]cyclohexyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 155153026) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[4-[(3-chlorophenyl)methyl]cyclohexyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-chlorophenyl)methyl]cyclohexyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID155153026
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-[4-[(3-chlorophenyl)methyl]cyclohexyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)NC2CCC(Cc3cccc(Cl)c3)CC2)ccc1=O
InChIInChI=1S/C20H23ClN2O2/c1-23-13-16(7-10-19(23)24)20(25)22-18-8-5-14(6-9-18)11-15-3-2-4-17(21)12-15/h2-4,7,10,12-14,18H,5-6,8-9,11H2,1H3,(H,22,25)
InChIKeySUHUJBYCHBUEIC-UHFFFAOYSA-N
XLogP3.57
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 95335220
N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 139521516
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 131895570
1-chloro-3-(cyclopentylmethyl)benzene;cyclohexylurea
CID 170579151
2-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpropanamide
CID 47206565
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
3-[2-(3-chlorophenyl)ethylsulfamoyl]-N-cyclopropylbenzamide
CID 109062317
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 62504081
5-chloro-N-[(3-chlorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 149227651
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide
CID 109247342
4-[(1-acetylpiperidin-4-yl)methyl]-N-cyclopropylbenzamide
CID 110198053
N-[[4-(aminomethyl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 126803241

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chlorophenyl)methyl]cyclohexyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-[(3-chlorophenyl)methyl]cyclohexyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 155153026) is N-[4-[(3-chlorophenyl)methyl]cyclohexyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(3-chlorophenyl)methyl]cyclohexyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-[(3-chlorophenyl)methyl]cyclohexyl]-1-methyl-6-oxopyridine-3-carboxamide is Cn1cc(C(=O)NC2CCC(Cc3cccc(Cl)c3)CC2)ccc1=O.
What is the InChIKey of N-[4-[(3-chlorophenyl)methyl]cyclohexyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is SUHUJBYCHBUEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-23-13-16(7-10-19(23)24)20(25)22-18-8-5-14(6-9-18)11-15-3-2-4-17(21)12-15/h2-4,7,10,12-14,18H,5-6,8-9,11H2,1H3,(H,22,25).
What are the key properties of N-[4-[(3-chlorophenyl)methyl]cyclohexyl]-1-methyl-6-oxopyridine-3-carboxamide?
N-[4-[(3-chlorophenyl)methyl]cyclohexyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 358.87 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chlorophenyl)methyl]cyclohexyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 155153026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).