N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C17H23N5O2 — CID 70740571

IUPACN-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NC(C)c2nncn2C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C17H23N5O2/c1-10-8-11(2)19-16(23)14(10)17(24)20-12(3)15-21-18-9-22(15)13-6-4-5-7-13/h8-9,12-13H,4-7H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyLSJRJVUUDSFDLC-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.19
Rot. Bonds4

About N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 70740571) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID70740571
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NC(C)c2nncn2C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C17H23N5O2/c1-10-8-11(2)19-16(23)14(10)17(24)20-12(3)15-21-18-9-22(15)13-6-4-5-7-13/h8-9,12-13H,4-7H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyLSJRJVUUDSFDLC-UHFFFAOYSA-N
XLogP2.19
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

2-hydroxy-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylnicotinamide
CID 70728441
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 72050252
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methylurea
CID 72050254
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
CID 72051083
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea
CID 72051417
4,5,6-trimethyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 126440041
N-(trans-3-{5-[(dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}cyclobutyl)-2-hydroxy-5,6-dimethylnicotinamide
CID 91760513
N-[4-[1-[4-(5-acetamido-2-aminocyclohex-2-en-1-yl)-5-methyl-1,2,4-triazol-3-yl]ethylamino]butyl]-2,2-dimethylpropanamide
CID 142406623
3-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 146312556
2-hydroxy-N-[3-methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)butyl]-5,6,7,8-tetrahydro-3-quinolinecarboxamide
CID 50959389
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 53506980
4,6-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 54883341

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 70740571) is N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)NC(C)c2nncn2C2CCCC2)c(=O)[nH]1.
What is the InChIKey of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is LSJRJVUUDSFDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-10-8-11(2)19-16(23)14(10)17(24)20-12(3)15-21-18-9-22(15)13-6-4-5-7-13/h8-9,12-13H,4-7H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 70740571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).