(3R)-N-(2-methylquinolin-5-yl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide

C19H21N5O — CID 125164615

IUPAC(3R)-N-(2-methylquinolin-5-yl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCc1ccc2c(NC(=O)N3CCC[C@@H](c4ccn[nH]4)C3)cccc2n1
InChIInChI=1S/C19H21N5O/c1-13-7-8-15-17(21-13)5-2-6-18(15)22-19(25)24-11-3-4-14(12-24)16-9-10-20-23-16/h2,5-10,14H,3-4,11-12H2,1H3,(H,20,23)(H,22,25)/t14-/m1/s1
InChIKeyDHDHJHGWZBPEQH-CQSZACIVSA-N
MW335.41 g/mol
LogP3.68
Rot. Bonds2

About (3R)-N-(2-methylquinolin-5-yl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide

(3R)-N-(2-methylquinolin-5-yl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 125164615) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is (3R)-N-(2-methylquinolin-5-yl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-methylquinolin-5-yl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID125164615
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name(3R)-N-(2-methylquinolin-5-yl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCc1ccc2c(NC(=O)N3CCC[C@@H](c4ccn[nH]4)C3)cccc2n1
InChIInChI=1S/C19H21N5O/c1-13-7-8-15-17(21-13)5-2-6-18(15)22-19(25)24-11-3-4-14(12-24)16-9-10-20-23-16/h2,5-10,14H,3-4,11-12H2,1H3,(H,20,23)(H,22,25)/t14-/m1/s1
InChIKeyDHDHJHGWZBPEQH-CQSZACIVSA-N
XLogP3.68
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylquinolin-5-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 118780526
N-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166207366
N-(2,6-dimethoxy-3-pyridinyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 118763053
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
[3-(2,2-dimethylpropylamino)-2-methylphenyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 126772863
N-benzyl-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166186970
3-N,3-N-dimethyl-5-N-(2-methylquinolin-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 134127279
(3S)-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 97268219
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone
CID 71934250
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
2-methyl-3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoic acid
CID 114897652
(2-methylpyrimidin-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768636

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methylquinolin-5-yl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(2-methylquinolin-5-yl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 125164615) is (3R)-N-(2-methylquinolin-5-yl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(2-methylquinolin-5-yl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(2-methylquinolin-5-yl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide is Cc1ccc2c(NC(=O)N3CCC[C@@H](c4ccn[nH]4)C3)cccc2n1.
What is the InChIKey of (3R)-N-(2-methylquinolin-5-yl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is DHDHJHGWZBPEQH-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-7-8-15-17(21-13)5-2-6-18(15)22-19(25)24-11-3-4-14(12-24)16-9-10-20-23-16/h2,5-10,14H,3-4,11-12H2,1H3,(H,20,23)(H,22,25)/t14-/m1/s1.
What are the key properties of (3R)-N-(2-methylquinolin-5-yl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
(3R)-N-(2-methylquinolin-5-yl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methylquinolin-5-yl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 125164615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).