N-[[3-chloro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methylpyridine-2-carboxamide

C26H25ClN6O2 — CID 139327468

About N-[[3-chloro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methylpyridine-2-carboxamide

N-[[3-chloro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methylpyridine-2-carboxamide (PubChem CID 139327468) has the molecular formula C26H25ClN6O2 and a molecular weight of 488.98 g/mol. Its IUPAC name is N-[[3-chloro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[3-chloro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methylpyridine-2-carboxamide
• PubChem CID: 139327468
• Molecular Formula: C26H25ClN6O2
• Molecular Weight: 488.98 g/mol
• Exact Mass: 488.17
• IUPAC Name: N-[[3-chloro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methylpyridine-2-carboxamide
• SMILES: Cc1cc(N2CC[C@@](C#N)(C3CC3)C2=O)cc(C(=O)NCc2cc(Cl)cc(-c3cnn(C)c3)c2)n1
• InChI: InChI=1S/C26H25ClN6O2/c1-16-7-22(33-6-5-26(15-28,25(33)35)20-3-4-20)11-23(31-16)24(34)29-12-17-8-18(10-21(27)9-17)19-13-30-32(2)14-19/h7-11,13-14,20H,3-6,12H2,1-2H3,(H,29,34)/t26-/m1/s1
• InChIKey: KROVYEIKRLGKAO-AREMUKBSSA-N
• XLogP: 4.03
• TPSA: 103.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.98
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methylpyridine-2-carboxamide?

The IUPAC name of N-[[3-chloro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methylpyridine-2-carboxamide (CID 139327468) is N-[[3-chloro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methylpyridine-2-carboxamide.

What is the SMILES notation for N-[[3-chloro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methylpyridine-2-carboxamide?

The canonical SMILES for N-[[3-chloro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methylpyridine-2-carboxamide is Cc1cc(N2CC[C@@](C#N)(C3CC3)C2=O)cc(C(=O)NCc2cc(Cl)cc(-c3cnn(C)c3)c2)n1.

What is the InChIKey of N-[[3-chloro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methylpyridine-2-carboxamide?

The InChIKey is KROVYEIKRLGKAO-AREMUKBSSA-N. The full InChI is InChI=1S/C26H25ClN6O2/c1-16-7-22(33-6-5-26(15-28,25(33)35)20-3-4-20)11-23(31-16)24(34)29-12-17-8-18(10-21(27)9-17)19-13-30-32(2)14-19/h7-11,13-14,20H,3-6,12H2,1-2H3,(H,29,34)/t26-/m1/s1.

What are the key properties of N-[[3-chloro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methylpyridine-2-carboxamide?

N-[[3-chloro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 488.98 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-chloro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 139327468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).