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

C19H25N5O2 — CID 92892680

IUPAC(3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
SMILESCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccccn3)n[nH]2)C1
InChIInChI=1S/C19H25N5O2/c1-3-13(2)21-18(25)14-7-6-10-24(12-14)19(26)17-11-16(22-23-17)15-8-4-5-9-20-15/h4-5,8-9,11,13-14H,3,6-7,10,12H2,1-2H3,(H,21,25)(H,22,23)/t13-,14-/m0/s1
InChIKeyKWPOOYSLRKWTNU-KBPBESRZSA-N
MW355.44 g/mol
LogP2.24
Rot. Bonds5

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

(3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide (PubChem CID 92892680) 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-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
PubChem CID92892680
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
SMILESCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccccn3)n[nH]2)C1
InChIInChI=1S/C19H25N5O2/c1-3-13(2)21-18(25)14-7-6-10-24(12-14)19(26)17-11-16(22-23-17)15-8-4-5-9-20-15/h4-5,8-9,11,13-14H,3,6-7,10,12H2,1-2H3,(H,21,25)(H,22,23)/t13-,14-/m0/s1
InChIKeyKWPOOYSLRKWTNU-KBPBESRZSA-N
XLogP2.24
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

(3R)-N-propan-2-yl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892697
(3S)-N-propyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92751845
N-butan-2-yl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 50800008
(3S)-N-cyclopropyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892702
(3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 93069459
(3R)-N-(4-ethylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892685
N-[(4-methylphenyl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 50799692
(3R)-N-(3-acetylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92875196
(3S)-N-[(4-bromophenyl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892742
N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 46352054
N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 50799939
(3R)-N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 97044702

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide (CID 92892680) is (3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide is CC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccccn3)n[nH]2)C1.
What is the InChIKey of (3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The InChIKey is KWPOOYSLRKWTNU-KBPBESRZSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-3-13(2)21-18(25)14-7-6-10-24(12-14)19(26)17-11-16(22-23-17)15-8-4-5-9-20-15/h4-5,8-9,11,13-14H,3,6-7,10,12H2,1-2H3,(H,21,25)(H,22,23)/t13-,14-/m0/s1.
What are the key properties of (3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
(3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-2-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-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 92892680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).