(3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide

C19H25N5O2 — CID 93069459

About (3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide

(3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide (PubChem CID 93069459) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
• PubChem CID: 93069459
• Molecular Formula: C19H25N5O2
• Molecular Weight: 355.44 g/mol
• Exact Mass: 355.20
• IUPAC Name: (3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
• SMILES: CC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc(-c3cccnc3)n[nH]2)C1
• InChI: InChI=1S/C19H25N5O2/c1-3-13(2)21-18(25)15-7-5-9-24(12-15)19(26)17-10-16(22-23-17)14-6-4-8-20-11-14/h4,6,8,10-11,13,15H,3,5,7,9,12H2,1-2H3,(H,21,25)(H,22,23)/t13-,15-/m0/s1
• InChIKey: DUTZQEJZUBHQLD-ZFWWWQNUSA-N
• XLogP: 2.24
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.44
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?

The IUPAC name of (3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide (CID 93069459) is (3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide.

What is the SMILES notation for (3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?

The canonical SMILES for (3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide is CC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc(-c3cccnc3)n[nH]2)C1.

What is the InChIKey of (3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?

The InChIKey is DUTZQEJZUBHQLD-ZFWWWQNUSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-3-13(2)21-18(25)15-7-5-9-24(12-15)19(26)17-10-16(22-23-17)14-6-4-8-20-11-14/h4,6,8,10-11,13,15H,3,5,7,9,12H2,1-2H3,(H,21,25)(H,22,23)/t13-,15-/m0/s1.

What are the key properties of (3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?

(3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 93069459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).