N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C21H26N4O3 — CID 56892736

IUPACN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)NC3CC(=O)N(C4CCCCCC4)C3)c(=O)n12
InChIInChI=1S/C21H26N4O3/c1-14-7-6-10-18-22-12-17(21(28)25(14)18)20(27)23-15-11-19(26)24(13-15)16-8-4-2-3-5-9-16/h6-7,10,12,15-16H,2-5,8-9,11,13H2,1H3,(H,23,27)
InChIKeyJZZAKGMUFHKDNJ-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.06
Rot. Bonds3

About N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 56892736) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID56892736
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)NC3CC(=O)N(C4CCCCCC4)C3)c(=O)n12
InChIInChI=1S/C21H26N4O3/c1-14-7-6-10-18-22-12-17(21(28)25(14)18)20(27)23-15-11-19(26)24(13-15)16-8-4-2-3-5-9-16/h6-7,10,12,15-16H,2-5,8-9,11,13H2,1H3,(H,23,27)
InChIKeyJZZAKGMUFHKDNJ-UHFFFAOYSA-N
XLogP2.06
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-hexyl-6-methyl-4-oxo-
CID 3079279
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-heptyl-6-methyl-4-oxo-
CID 3079280
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-N-octyl-4-oxo-
CID 3079281
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-cyclopentyl-6-methyl-4-oxo-
CID 3079284
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-cyclohexyl-6-methyl-4-oxo-
CID 3079285
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-cycloheptyl-6-methyl-4-oxo-
CID 3079286
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-cyclopentyl-6-methyl-4-oxo-, monohydrochloride
CID 3079300
N-(1-cyclopropylpyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51100165
3-[(2S,4S)-4-fluoro-2-(methylaminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 137840823
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 137873516
9-methyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 46364468
3-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 50951639

Frequently Asked Questions

What is the IUPAC name of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 56892736) is N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccc2ncc(C(=O)NC3CC(=O)N(C4CCCCCC4)C3)c(=O)n12.
What is the InChIKey of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is JZZAKGMUFHKDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14-7-6-10-18-22-12-17(21(28)25(14)18)20(27)23-15-11-19(26)24(13-15)16-8-4-2-3-5-9-16/h6-7,10,12,15-16H,2-5,8-9,11,13H2,1H3,(H,23,27).
What are the key properties of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56892736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).