N-cyclopentyl-3-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]azetidine-1-carboxamide

C18H26N4O2 — CID 126928517

IUPACN-cyclopentyl-3-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]azetidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CC(Cn2nc3c(cc2=O)CCCC3)C1
InChIInChI=1S/C18H26N4O2/c23-17-9-14-5-1-4-8-16(14)20-22(17)12-13-10-21(11-13)18(24)19-15-6-2-3-7-15/h9,13,15H,1-8,10-12H2,(H,19,24)
InChIKeyPPTPYHRRSHBNCY-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.71
Rot. Bonds3

About N-cyclopentyl-3-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]azetidine-1-carboxamide

N-cyclopentyl-3-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]azetidine-1-carboxamide (PubChem CID 126928517) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-cyclopentyl-3-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]azetidine-1-carboxamide
PubChem CID126928517
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-cyclopentyl-3-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]azetidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CC(Cn2nc3c(cc2=O)CCCC3)C1
InChIInChI=1S/C18H26N4O2/c23-17-9-14-5-1-4-8-16(14)20-22(17)12-13-10-21(11-13)18(24)19-15-6-2-3-7-15/h9,13,15H,1-8,10-12H2,(H,19,24)
InChIKeyPPTPYHRRSHBNCY-UHFFFAOYSA-N
XLogP1.71
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-4-[(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)methyl]piperidine-1-carboxamide
CID 126864704
N-cyclopropyl-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 75465729
3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]-N-cyclopentylazetidine-1-carboxamide
CID 126927651
N-cyclopentyl-3-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]azetidine-1-carboxamide
CID 126929617
2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928592
2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928494
2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928177
2-[(1-cyclohexylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862802
2-[[1-(oxolan-2-ylmethyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928830
4-[(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 126864766
2-[[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928490
2-[[1-(1-methyl-2-oxoazepan-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928814

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]azetidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-3-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]azetidine-1-carboxamide (CID 126928517) is N-cyclopentyl-3-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]azetidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]azetidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-3-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]azetidine-1-carboxamide is O=C(NC1CCCC1)N1CC(Cn2nc3c(cc2=O)CCCC3)C1.
What is the InChIKey of N-cyclopentyl-3-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]azetidine-1-carboxamide?
The InChIKey is PPTPYHRRSHBNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-17-9-14-5-1-4-8-16(14)20-22(17)12-13-10-21(11-13)18(24)19-15-6-2-3-7-15/h9,13,15H,1-8,10-12H2,(H,19,24).
What are the key properties of N-cyclopentyl-3-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]azetidine-1-carboxamide?
N-cyclopentyl-3-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]azetidine-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]azetidine-1-carboxamide is sourced from PubChem (CID 126928517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).