N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide

C19H28N4O3 — CID 56884213

IUPACN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCC(C)c1ncc(C(=O)NC2CC(=O)N(C3CCCCCC3)C2)c(=O)[nH]1
InChIInChI=1S/C19H28N4O3/c1-12(2)17-20-10-15(19(26)22-17)18(25)21-13-9-16(24)23(11-13)14-7-5-3-4-6-8-14/h10,12-14H,3-9,11H2,1-2H3,(H,21,25)(H,20,22,26)
InChIKeyQPTDXVFPRMBGGX-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.95
Rot. Bonds4

About N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide

N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide (PubChem CID 56884213) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
PubChem CID56884213
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCC(C)c1ncc(C(=O)NC2CC(=O)N(C3CCCCCC3)C2)c(=O)[nH]1
InChIInChI=1S/C19H28N4O3/c1-12(2)17-20-10-15(19(26)22-17)18(25)21-13-9-16(24)23(11-13)14-7-5-3-4-6-8-14/h10,12-14H,3-9,11H2,1-2H3,(H,21,25)(H,20,22,26)
InChIKeyQPTDXVFPRMBGGX-UHFFFAOYSA-N
XLogP1.95
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-isopropyl-5-{[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]carbonyl}pyrimidin-4(3H)-one
CID 56872069
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 56892736
2-isopropyl-5-{[2-(1-pyrrolidinylcarbonyl)-1-piperazinyl]carbonyl}-4(3H)-pyrimidinone
CID 56898809
(4R)-4-amino-N,N-diethyl-1-[(2-isopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-L-prolinamide
CID 56713154
(4S)-4-amino-N,N-diethyl-1-[(2-isopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-L-prolinamide
CID 56721658
5-{[(3S*,4R*)-3-(dimethylamino)-4-isopropyl-1-pyrrolidinyl]carbonyl}-2-methyl-4(3H)-pyrimidinone
CID 72879237
N-{(3R,5S)-5-[(diethylamino)carbonyl]-1-isobutylpyrrolidin-3-yl}-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 72928562
N-(1,1-dimethyl-2-pyrrolidin-1-ylethyl)-2-isopropyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 91829870
2-propan-2-yl-5-[(2R)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 95724112
2-propan-2-yl-5-[(2S)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 95724113
N-cycloheptyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110855515

Frequently Asked Questions

What is the IUPAC name of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide (CID 56884213) is N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide is CC(C)c1ncc(C(=O)NC2CC(=O)N(C3CCCCCC3)C2)c(=O)[nH]1.
What is the InChIKey of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is QPTDXVFPRMBGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-12(2)17-20-10-15(19(26)22-17)18(25)21-13-9-16(24)23(11-13)14-7-5-3-4-6-8-14/h10,12-14H,3-9,11H2,1-2H3,(H,21,25)(H,20,22,26).
What are the key properties of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 56884213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).