N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)pyridine-3-carboxamide

C27H24N6O3 — CID 67241048

IUPACN-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)pyridine-3-carboxamide
SMILESO=C(NC1CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(-c2ccccn2)n1
InChIInChI=1S/C27H24N6O3/c34-24(27(36)30-19-11-12-19)23(17-18-7-2-1-3-8-18)31-26(35)20-9-6-15-29-25(20)33-16-13-22(32-33)21-10-4-5-14-28-21/h1-10,13-16,19,23H,11-12,17H2,(H,30,36)(H,31,35)/t23-/m0/s1
InChIKeyRPZYFDAERQZCHS-QHCPKHFHSA-N
MW480.53 g/mol
LogP2.52
Rot. Bonds9

About N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)pyridine-3-carboxamide

N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)pyridine-3-carboxamide (PubChem CID 67241048) has the molecular formula C27H24N6O3 and a molecular weight of 480.53 g/mol. Its IUPAC name is N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)pyridine-3-carboxamide
PubChem CID67241048
Molecular FormulaC27H24N6O3
Molecular Weight480.53 g/mol
Exact Mass480.19
IUPAC NameN-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)pyridine-3-carboxamide
SMILESO=C(NC1CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(-c2ccccn2)n1
InChIInChI=1S/C27H24N6O3/c34-24(27(36)30-19-11-12-19)23(17-18-7-2-1-3-8-18)31-26(35)20-9-6-15-29-25(20)33-16-13-22(32-33)21-10-4-5-14-28-21/h1-10,13-16,19,23H,11-12,17H2,(H,30,36)(H,31,35)/t23-/m0/s1
InChIKeyRPZYFDAERQZCHS-QHCPKHFHSA-N
XLogP2.52
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-4-(cyclopropylamino)-1-(4-methoxyphenyl)-3,4-dioxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 67238372
N-[4-(cyclopropylamino)-1-[4-(morpholin-4-ylmethyl)phenyl]-3,4-dioxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 53311777
N-[4-(cyclopropylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 67238746
N-[4-(methylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 67238226
N-[4-(cyclobutyloxyamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 53257332
N-[3,4-dioxo-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 67238293
2-[3-(4-fluorophenyl)pyrazol-1-yl]-N-[4-(methoxyamino)-3,4-dioxo-1-phenylbutan-2-yl]pyridine-3-carboxamide
CID 53258820
N-[(2S)-4-(2-morpholin-4-ylethoxyamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 87321127
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[[cyclopropyl(methyl)amino]methyl]pyrazol-1-yl]pyridine-3-carboxamide
CID 71768704
N-[(2S)-4-(1,3-benzoxazol-2-ylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 67240349
N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 134396793
N-[4-(cyclopropylamino)-1-[4-(morpholin-4-ylmethyl)phenyl]-3,4-dioxobutyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 67238155

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)pyridine-3-carboxamide (CID 67241048) is N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)pyridine-3-carboxamide is O=C(NC1CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(-c2ccccn2)n1.
What is the InChIKey of N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)pyridine-3-carboxamide?
The InChIKey is RPZYFDAERQZCHS-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H24N6O3/c34-24(27(36)30-19-11-12-19)23(17-18-7-2-1-3-8-18)31-26(35)20-9-6-15-29-25(20)33-16-13-22(32-33)21-10-4-5-14-28-21/h1-10,13-16,19,23H,11-12,17H2,(H,30,36)(H,31,35)/t23-/m0/s1.
What are the key properties of N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)pyridine-3-carboxamide?
N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 480.53 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 67241048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).