N-(1-methyl-6-oxo-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide

C16H18N4O2 — CID 75462277

IUPACN-(1-methyl-6-oxo-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCCC2c2cccnc2)ccc1=O
InChIInChI=1S/C16H18N4O2/c1-19-11-13(6-7-15(19)21)18-16(22)20-9-3-5-14(20)12-4-2-8-17-10-12/h2,4,6-8,10-11,14H,3,5,9H2,1H3,(H,18,22)
InChIKeyJDSPPHATAXYPKQ-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.15
Rot. Bonds2

About N-(1-methyl-6-oxo-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide

N-(1-methyl-6-oxo-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide (PubChem CID 75462277) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-(1-methyl-6-oxo-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-6-oxo-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide
PubChem CID75462277
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-(1-methyl-6-oxo-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCCC2c2cccnc2)ccc1=O
InChIInChI=1S/C16H18N4O2/c1-19-11-13(6-7-15(19)21)18-16(22)20-9-3-5-14(20)12-4-2-8-17-10-12/h2,4,6-8,10-11,14H,3,5,9H2,1H3,(H,18,22)
InChIKeyJDSPPHATAXYPKQ-UHFFFAOYSA-N
XLogP2.15
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Norcotinine
CID 413
Demethylcotinine
CID 92223
N-Acetylnornicotine
CID 165384
1-Cyclohexyl-3-(3-pyridylmethyl)urea
CID 650313
2-[2-Oxo-6-phenyl-3-(3-pyridin-3-ylmethyl-ureido)-2H-pyridin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10029919
N-[4-(1-isobutyrylpiperidin-4-yl)phenyl]-1,3-dihydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510249
N-(1-(6-oxo-1,6-dihydropyridin-3-yl)pentyl)-2-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)acetamide
CID 44557554
(5Z)-1-[(4-fluorophenyl)methyl]-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 917055
2-(3-pyridinyl)-N-[2-(trifluoromethyl)phenyl]-1-pyrrolidinecarboxamide
CID 2738281
5-[(2,5-Dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2889521
5-{[2,5-dimethyl-1-(4-pyridinyl)-1H-pyrrol-3-yl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2910078
1-(2-Ethylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 4463258

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide (CID 75462277) is N-(1-methyl-6-oxo-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1-methyl-6-oxo-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(1-methyl-6-oxo-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide is Cn1cc(NC(=O)N2CCCC2c2cccnc2)ccc1=O.
What is the InChIKey of N-(1-methyl-6-oxo-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide?
The InChIKey is JDSPPHATAXYPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-19-11-13(6-7-15(19)21)18-16(22)20-9-3-5-14(20)12-4-2-8-17-10-12/h2,4,6-8,10-11,14H,3,5,9H2,1H3,(H,18,22).
What are the key properties of N-(1-methyl-6-oxo-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide?
N-(1-methyl-6-oxo-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-oxo-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 75462277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).