(2S)-2-[(1-methylpyrazol-3-yl)methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide

C24H24N6O2 — CID 71456911

IUPAC(2S)-2-[(1-methylpyrazol-3-yl)methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide
SMILESCn1ccc(CN[C@@H](Cc2ccccc2)C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)n1
InChIInChI=1S/C24H24N6O2/c1-30-12-9-20(29-30)16-26-21(13-17-5-3-2-4-6-17)24(32)28-22-14-19(15-27-23(22)31)18-7-10-25-11-8-18/h2-12,14-15,21,26H,13,16H2,1H3,(H,27,31)(H,28,32)/t21-/m0/s1
InChIKeyDFRFWWCRZDSUDF-NRFANRHFSA-N
MW428.50 g/mol
LogP2.51
Rot. Bonds8

About (2S)-2-[(1-methylpyrazol-3-yl)methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide

(2S)-2-[(1-methylpyrazol-3-yl)methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide (PubChem CID 71456911) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is (2S)-2-[(1-methylpyrazol-3-yl)methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(1-methylpyrazol-3-yl)methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide
PubChem CID71456911
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name(2S)-2-[(1-methylpyrazol-3-yl)methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide
SMILESCn1ccc(CN[C@@H](Cc2ccccc2)C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)n1
InChIInChI=1S/C24H24N6O2/c1-30-12-9-20(29-30)16-26-21(13-17-5-3-2-4-6-17)24(32)28-22-14-19(15-27-23(22)31)18-7-10-25-11-8-18/h2-12,14-15,21,26H,13,16H2,1H3,(H,27,31)(H,28,32)/t21-/m0/s1
InChIKeyDFRFWWCRZDSUDF-NRFANRHFSA-N
XLogP2.51
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-methylpyrazol-3-yl)methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-[(1-methylpyrazol-3-yl)methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide (CID 71456911) is (2S)-2-[(1-methylpyrazol-3-yl)methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(1-methylpyrazol-3-yl)methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[(1-methylpyrazol-3-yl)methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide is Cn1ccc(CN[C@@H](Cc2ccccc2)C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)n1.
What is the InChIKey of (2S)-2-[(1-methylpyrazol-3-yl)methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide?
The InChIKey is DFRFWWCRZDSUDF-NRFANRHFSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-30-12-9-20(29-30)16-26-21(13-17-5-3-2-4-6-17)24(32)28-22-14-19(15-27-23(22)31)18-7-10-25-11-8-18/h2-12,14-15,21,26H,13,16H2,1H3,(H,27,31)(H,28,32)/t21-/m0/s1.
What are the key properties of (2S)-2-[(1-methylpyrazol-3-yl)methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide?
(2S)-2-[(1-methylpyrazol-3-yl)methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide has a molecular weight of 428.50 g/mol, XLogP of 2.51, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-methylpyrazol-3-yl)methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 71456911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).