2-methyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrazole-3-carboxamide

C18H19N5O — CID 131909202

IUPAC2-methyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(N2CCCC2)c2ncccc12
InChIInChI=1S/C18H19N5O/c1-22-16(8-10-20-22)18(24)21-14-6-7-15(23-11-2-3-12-23)17-13(14)5-4-9-19-17/h4-10H,2-3,11-12H2,1H3,(H,21,24)
InChIKeyVNOKEYKOMMKANP-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.82
Rot. Bonds3

About 2-methyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrazole-3-carboxamide

2-methyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrazole-3-carboxamide (PubChem CID 131909202) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-methyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrazole-3-carboxamide
PubChem CID131909202
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-methyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(N2CCCC2)c2ncccc12
InChIInChI=1S/C18H19N5O/c1-22-16(8-10-20-22)18(24)21-14-6-7-15(23-11-2-3-12-23)17-13(14)5-4-9-19-17/h4-10H,2-3,11-12H2,1H3,(H,21,24)
InChIKeyVNOKEYKOMMKANP-UHFFFAOYSA-N
XLogP2.82
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(8-piperidin-1-ylquinolin-5-yl)urea
CID 167992902
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2-(2-methylimidazol-1-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
CID 131896819
(2S)-1-methylsulfonyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-2-carboxamide
CID 131914481
3-(2-oxopyrrolidin-1-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)propanamide
CID 131927592
2-[methyl(pyridin-4-ylmethyl)amino]-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
CID 131898446
5-oxo-1-prop-2-enyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-3-carboxamide
CID 131943338
N-(8-pyrrolidin-1-ylquinolin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 131908303
2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
CID 131951504
1-methyl-4-[(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]pyrazole-5-carboxylic acid
CID 19496427
4-bromo-N-(8-chloroquinolin-5-yl)-1-methylpyrrole-2-carboxamide
CID 60727478
2-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyrazole-3-carboxamide
CID 124573399

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrazole-3-carboxamide (CID 131909202) is 2-methyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1ccc(N2CCCC2)c2ncccc12.
What is the InChIKey of 2-methyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrazole-3-carboxamide?
The InChIKey is VNOKEYKOMMKANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-22-16(8-10-20-22)18(24)21-14-6-7-15(23-11-2-3-12-23)17-13(14)5-4-9-19-17/h4-10H,2-3,11-12H2,1H3,(H,21,24).
What are the key properties of 2-methyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrazole-3-carboxamide?
2-methyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrazole-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 131909202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).