N-cyclopropyl-1-(2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxamide

C19H21N3O3S — CID 49351288

IUPACN-cyclopropyl-1-(2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(C(=O)c2ccc(-c3cccs3)[nH]c2=O)C1
InChIInChI=1S/C19H21N3O3S/c23-17(20-13-5-6-13)12-3-1-9-22(11-12)19(25)14-7-8-15(21-18(14)24)16-4-2-10-26-16/h2,4,7-8,10,12-13H,1,3,5-6,9,11H2,(H,20,23)(H,21,24)
InChIKeyHTQAREKOLNLURI-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.23
Rot. Bonds4

About N-cyclopropyl-1-(2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxamide

N-cyclopropyl-1-(2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxamide (PubChem CID 49351288) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-cyclopropyl-1-(2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
PubChem CID49351288
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-cyclopropyl-1-(2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(C(=O)c2ccc(-c3cccs3)[nH]c2=O)C1
InChIInChI=1S/C19H21N3O3S/c23-17(20-13-5-6-13)12-3-1-9-22(11-12)19(25)14-7-8-15(21-18(14)24)16-4-2-10-26-16/h2,4,7-8,10,12-13H,1,3,5-6,9,11H2,(H,20,23)(H,21,24)
InChIKeyHTQAREKOLNLURI-UHFFFAOYSA-N
XLogP2.23
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(thiophene-2-carbonyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-3-carboxamide
CID 30787670
3-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one
CID 166200032
(3R)-N-cyclopropyl-1-(2-oxochromene-3-carbonyl)piperidine-3-carboxamide
CID 94352979
N-cyclopropyl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide
CID 20883468
3-[3-(methylamino)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 119491224
3-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one
CID 95607220
(3R)-N-cyclopropyl-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 94352886
N-[1-(4-cyanophenyl)piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 86868702
4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229696
1-benzoyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69258968
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
(3S)-N-[(1S,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 124743109

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxamide (CID 49351288) is N-cyclopropyl-1-(2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxamide is O=C(NC1CC1)C1CCCN(C(=O)c2ccc(-c3cccs3)[nH]c2=O)C1.
What is the InChIKey of N-cyclopropyl-1-(2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is HTQAREKOLNLURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-17(20-13-5-6-13)12-3-1-9-22(11-12)19(25)14-7-8-15(21-18(14)24)16-4-2-10-26-16/h2,4,7-8,10,12-13H,1,3,5-6,9,11H2,(H,20,23)(H,21,24).
What are the key properties of N-cyclopropyl-1-(2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxamide?
N-cyclopropyl-1-(2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 49351288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).