1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide

C22H23N5O3 — CID 92635651

IUPAC1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Cn1cc(C(=O)Nc2cccc(-n3cccn3)c2)ccc1=O)NC1CCCC1
InChIInChI=1S/C22H23N5O3/c28-20(24-17-5-1-2-6-17)15-26-14-16(9-10-21(26)29)22(30)25-18-7-3-8-19(13-18)27-12-4-11-23-27/h3-4,7-14,17H,1-2,5-6,15H2,(H,24,28)(H,25,30)
InChIKeyFKKRPMISMNINMK-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.35
Rot. Bonds6

About 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide

1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide (PubChem CID 92635651) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide
PubChem CID92635651
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Cn1cc(C(=O)Nc2cccc(-n3cccn3)c2)ccc1=O)NC1CCCC1
InChIInChI=1S/C22H23N5O3/c28-20(24-17-5-1-2-6-17)15-26-14-16(9-10-21(26)29)22(30)25-18-7-3-8-19(13-18)27-12-4-11-23-27/h3-4,7-14,17H,1-2,5-6,15H2,(H,24,28)(H,25,30)
InChIKeyFKKRPMISMNINMK-UHFFFAOYSA-N
XLogP2.35
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 92635565
N-cyclopentyl-N'-(3-pyrazol-1-ylphenyl)butanediamide
CID 131950327
1-[2-(cyclopentylamino)-2-oxoethyl]-N-(1-ethyl-2-methylbenzimidazol-5-yl)-6-oxopyridine-3-carboxamide
CID 92635587
2-(cyclopropylamino)-N-(3-pyrazol-1-ylphenyl)pyridine-4-carboxamide
CID 167896972
6-oxo-N-(3-pyrazol-1-ylphenyl)-1H-pyridine-3-carboxamide
CID 60779425
1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 110246999
methyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609506
(2S)-2-amino-2-cyclohexyl-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride
CID 154915070
1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 96525270
1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 96525273
1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 92634610
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 60868167

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide (CID 92635651) is 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide is O=C(Cn1cc(C(=O)Nc2cccc(-n3cccn3)c2)ccc1=O)NC1CCCC1.
What is the InChIKey of 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide?
The InChIKey is FKKRPMISMNINMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c28-20(24-17-5-1-2-6-17)15-26-14-16(9-10-21(26)29)22(30)25-18-7-3-8-19(13-18)27-12-4-11-23-27/h3-4,7-14,17H,1-2,5-6,15H2,(H,24,28)(H,25,30).
What are the key properties of 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide?
1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 92635651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).