N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-oxo-1H-pyridine-3-carboxamide

C17H21N5O2 — CID 91632008

IUPACN-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C17H21N5O2/c23-16-4-3-12(10-18-16)17(24)19-13-5-7-22(8-6-13)15-9-14(20-21-15)11-1-2-11/h3-4,9-11,13H,1-2,5-8H2,(H,18,23)(H,19,24)(H,20,21)
InChIKeyFRMDLJGNPVRFOE-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.37
Rot. Bonds4

About N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-oxo-1H-pyridine-3-carboxamide

N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 91632008) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID91632008
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C17H21N5O2/c23-16-4-3-12(10-18-16)17(24)19-13-5-7-22(8-6-13)15-9-14(20-21-15)11-1-2-11/h3-4,9-11,13H,1-2,5-8H2,(H,18,23)(H,19,24)(H,20,21)
InChIKeyFRMDLJGNPVRFOE-UHFFFAOYSA-N
XLogP1.37
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.37
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]-2-oxo-1H-quinoline-4-carboxamide
CID 91631981
(1S)-N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 100744073
4-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808216
6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyridine-3-carboxamide
CID 71886114
N-(1-butylpiperidin-4-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 47363948
N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-4-morpholin-4-ylbenzamide
CID 91631942
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528231
1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-amine
CID 91811818
(2R)-2-acetamido-N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-4-methylsulfanylbutanamide
CID 100744099
4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528146
4-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528414
3-fluoro-4-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528488

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-oxo-1H-pyridine-3-carboxamide (CID 91632008) is N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is FRMDLJGNPVRFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-16-4-3-12(10-18-16)17(24)19-13-5-7-22(8-6-13)15-9-14(20-21-15)11-1-2-11/h3-4,9-11,13H,1-2,5-8H2,(H,18,23)(H,19,24)(H,20,21).
What are the key properties of N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-oxo-1H-pyridine-3-carboxamide?
N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.37, 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]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 91632008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).