2-(3-cyclopropylpyrazol-1-yl)-N-[(2R)-3-hydroxy-4-(methylamino)-4-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide

C23H25N5O3 — CID 67241063

IUPAC2-(3-cyclopropylpyrazol-1-yl)-N-[(2R)-3-hydroxy-4-(methylamino)-4-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide
SMILESCNC(=O)C(O)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(C2CC2)n1
InChIInChI=1S/C23H25N5O3/c1-24-23(31)20(29)19(14-15-6-3-2-4-7-15)26-22(30)17-8-5-12-25-21(17)28-13-11-18(27-28)16-9-10-16/h2-8,11-13,16,19-20,29H,9-10,14H2,1H3,(H,24,31)(H,26,30)/t19-,20?/m1/s1
InChIKeyZRIDMRSZKIZDFL-FIWHBWSRSA-N
MW419.49 g/mol
LogP1.59
Rot. Bonds8

About 2-(3-cyclopropylpyrazol-1-yl)-N-[(2R)-3-hydroxy-4-(methylamino)-4-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide

2-(3-cyclopropylpyrazol-1-yl)-N-[(2R)-3-hydroxy-4-(methylamino)-4-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide (PubChem CID 67241063) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 2-(3-cyclopropylpyrazol-1-yl)-N-[(2R)-3-hydroxy-4-(methylamino)-4-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-cyclopropylpyrazol-1-yl)-N-[(2R)-3-hydroxy-4-(methylamino)-4-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide
PubChem CID67241063
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name2-(3-cyclopropylpyrazol-1-yl)-N-[(2R)-3-hydroxy-4-(methylamino)-4-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide
SMILESCNC(=O)C(O)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(C2CC2)n1
InChIInChI=1S/C23H25N5O3/c1-24-23(31)20(29)19(14-15-6-3-2-4-7-15)26-22(30)17-8-5-12-25-21(17)28-13-11-18(27-28)16-9-10-16/h2-8,11-13,16,19-20,29H,9-10,14H2,1H3,(H,24,31)(H,26,30)/t19-,20?/m1/s1
InChIKeyZRIDMRSZKIZDFL-FIWHBWSRSA-N
XLogP1.59
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-hydroxy-4-phenyl-3-[[2-(3-phenylpyrazol-1-yl)pyridine-3-carbonyl]amino]butanoate;2-hydroxy-4-phenyl-3-[[2-(3-phenylpyrazol-1-yl)pyridine-3-carbonyl]amino]butanoic acid
CID 87329244
N-[4-(methylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 67238226
ethyl 2-hydroxy-3-[[2-(4-methyl-3-phenylpyrazol-1-yl)pyridine-3-carbonyl]amino]-4-phenylbutanoate
CID 67240113
N-[3-hydroxy-4-(methoxyamino)-1-(2-methoxyphenyl)-4-oxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 141313072
N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)pyridine-3-carboxamide
CID 67241048
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-[4-(cyclopropylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 67238746
N-[(2R)-4-(cyclopropylamino)-1-(4-methoxyphenyl)-3,4-dioxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 67238372
N-[4-(cyclobutyloxyamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 53257332
2-hydroxy-4-phenyl-3-[[2-(3-phenylpyrazol-1-yl)-3-pyridinyl]methylamino]butanoic acid
CID 67260907
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-[(1S)-1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 141244816

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylpyrazol-1-yl)-N-[(2R)-3-hydroxy-4-(methylamino)-4-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(3-cyclopropylpyrazol-1-yl)-N-[(2R)-3-hydroxy-4-(methylamino)-4-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide (CID 67241063) is 2-(3-cyclopropylpyrazol-1-yl)-N-[(2R)-3-hydroxy-4-(methylamino)-4-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(3-cyclopropylpyrazol-1-yl)-N-[(2R)-3-hydroxy-4-(methylamino)-4-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(3-cyclopropylpyrazol-1-yl)-N-[(2R)-3-hydroxy-4-(methylamino)-4-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide is CNC(=O)C(O)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(C2CC2)n1.
What is the InChIKey of 2-(3-cyclopropylpyrazol-1-yl)-N-[(2R)-3-hydroxy-4-(methylamino)-4-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide?
The InChIKey is ZRIDMRSZKIZDFL-FIWHBWSRSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-24-23(31)20(29)19(14-15-6-3-2-4-7-15)26-22(30)17-8-5-12-25-21(17)28-13-11-18(27-28)16-9-10-16/h2-8,11-13,16,19-20,29H,9-10,14H2,1H3,(H,24,31)(H,26,30)/t19-,20?/m1/s1.
What are the key properties of 2-(3-cyclopropylpyrazol-1-yl)-N-[(2R)-3-hydroxy-4-(methylamino)-4-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide?
2-(3-cyclopropylpyrazol-1-yl)-N-[(2R)-3-hydroxy-4-(methylamino)-4-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 1.59, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylpyrazol-1-yl)-N-[(2R)-3-hydroxy-4-(methylamino)-4-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67241063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).