1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide

C23H26ClN3O3 — CID 95805137

IUPAC1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide
SMILESO=C(Cn1cc(C(=O)NC2CCCC2)ccc1=O)NCC1(c2ccccc2Cl)CC1
InChIInChI=1S/C23H26ClN3O3/c24-19-8-4-3-7-18(19)23(11-12-23)15-25-20(28)14-27-13-16(9-10-21(27)29)22(30)26-17-5-1-2-6-17/h3-4,7-10,13,17H,1-2,5-6,11-12,14-15H2,(H,25,28)(H,26,30)
InChIKeyXSTQQKQTPZHFBQ-UHFFFAOYSA-N
MW427.93 g/mol
LogP3.02
Rot. Bonds7

About 1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide

1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide (PubChem CID 95805137) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is 1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide
PubChem CID95805137
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Name1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide
SMILESO=C(Cn1cc(C(=O)NC2CCCC2)ccc1=O)NCC1(c2ccccc2Cl)CC1
InChIInChI=1S/C23H26ClN3O3/c24-19-8-4-3-7-18(19)23(11-12-23)15-25-20(28)14-27-13-16(9-10-21(27)29)22(30)26-17-5-1-2-6-17/h3-4,7-10,13,17H,1-2,5-6,11-12,14-15H2,(H,25,28)(H,26,30)
InChIKeyXSTQQKQTPZHFBQ-UHFFFAOYSA-N
XLogP3.02
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide with MolForge

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Related Compounds

4-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122008314
methyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609506
1-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide
CID 92632216
1-[(2-chlorophenyl)methyl]-6-oxo-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119454148
1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 110246999
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 46975247
1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide
CID 92635651
2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopentylacetamide
CID 2711182
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 36598462
1-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-cyclopentyl-2-methylguanidine;hydroiodide
CID 111833822
1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 92635565
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 110247005

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide (CID 95805137) is 1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide is O=C(Cn1cc(C(=O)NC2CCCC2)ccc1=O)NCC1(c2ccccc2Cl)CC1.
What is the InChIKey of 1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide?
The InChIKey is XSTQQKQTPZHFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c24-19-8-4-3-7-18(19)23(11-12-23)15-25-20(28)14-27-13-16(9-10-21(27)29)22(30)26-17-5-1-2-6-17/h3-4,7-10,13,17H,1-2,5-6,11-12,14-15H2,(H,25,28)(H,26,30).
What are the key properties of 1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide?
1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide has a molecular weight of 427.93 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 95805137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).