N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide

C21H23N5O2 — CID 91631981

IUPACN-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C21H23N5O2/c27-20-11-16(15-3-1-2-4-17(15)23-20)21(28)22-14-7-9-26(10-8-14)19-12-18(24-25-19)13-5-6-13/h1-4,11-14H,5-10H2,(H,22,28)(H,23,27)(H,24,25)
InChIKeyIHQWLGBAVDULCN-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.53
Rot. Bonds4

About N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide

N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 91631981) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID91631981
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C21H23N5O2/c27-20-11-16(15-3-1-2-4-17(15)23-20)21(28)22-14-7-9-26(10-8-14)19-12-18(24-25-19)13-5-6-13/h1-4,11-14H,5-10H2,(H,22,28)(H,23,27)(H,24,25)
InChIKeyIHQWLGBAVDULCN-UHFFFAOYSA-N
XLogP2.53
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 91632008
2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide
CID 79687976
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94694746
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 38208260
N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 10086797
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119457477
N-(2-aminocyclohexyl)-2-oxo-1H-quinoline-4-carboxamide
CID 61038006
trans-(1S,2S)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 124703895
(1S)-N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 100744073
N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 52910543
N-[(2R,4S)-2-cyclopropyloxan-4-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 97308523
2-oxo-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinoline-4-carboxamide
CID 25475206

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide (CID 91631981) is N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide is O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is IHQWLGBAVDULCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-20-11-16(15-3-1-2-4-17(15)23-20)21(28)22-14-7-9-26(10-8-14)19-12-18(24-25-19)13-5-6-13/h1-4,11-14H,5-10H2,(H,22,28)(H,23,27)(H,24,25).
What are the key properties of N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide?
N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 91631981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).