N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide

C20H30N4O3 — CID 56901883

IUPACN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC2CC(=O)N(C3CCCCCC3)C2)nc(=O)[nH]1
InChIInChI=1S/C20H30N4O3/c1-13(2)9-14-10-17(23-20(27)22-14)19(26)21-15-11-18(25)24(12-15)16-7-5-3-4-6-8-16/h10,13,15-16H,3-9,11-12H2,1-2H3,(H,21,26)(H,22,23,27)
InChIKeyNREMVEKFSCEMGV-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.02
Rot. Bonds5

About N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide

N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 56901883) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID56901883
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC2CC(=O)N(C3CCCCCC3)C2)nc(=O)[nH]1
InChIInChI=1S/C20H30N4O3/c1-13(2)9-14-10-17(23-20(27)22-14)19(26)21-15-11-18(25)24(12-15)16-7-5-3-4-6-8-16/h10,13,15-16H,3-9,11-12H2,1-2H3,(H,21,26)(H,22,23,27)
InChIKeyNREMVEKFSCEMGV-UHFFFAOYSA-N
XLogP2.02
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methylpropyl)-2-oxo-N-[(3S)-2-oxopyrrolidin-3-yl]-1H-pyrimidine-4-carboxamide
CID 100055639
(3S)-1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 28077633
(3R)-1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 28077635
1-tert-butyl-N-[2-(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)ethyl]-5-oxo-3-pyrrolidinecarboxamide
CID 45208527
3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)-N-[2,2-dimethyl-1-(pyrrolidin-1-ylmethyl)propyl]propanamide
CID 46992500
N-cycloheptyl-N'-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]succinamide
CID 46995237
N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-1-isobutyl-5-oxopyrrolidine-3-carboxamide
CID 50978045
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 52391591
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(2S)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 52391593
(2S,4S)-4-amino-1-[(6-isobutyl-2-oxo-1,2-dihydropyrimidin-4-yl)carbonyl]-N-isopropylpyrrolidine-2-carboxamide
CID 56702502
(4R)-4-amino-1-[3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)propanoyl]-N-ethyl-L-prolinamide
CID 56706783
(4S)-4-amino-1-[3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)propanoyl]-N-ethyl-L-prolinamide
CID 56708410

Frequently Asked Questions

What is the IUPAC name of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide (CID 56901883) is N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide is CC(C)Cc1cc(C(=O)NC2CC(=O)N(C3CCCCCC3)C2)nc(=O)[nH]1.
What is the InChIKey of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is NREMVEKFSCEMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-13(2)9-14-10-17(23-20(27)22-14)19(26)21-15-11-18(25)24(12-15)16-7-5-3-4-6-8-16/h10,13,15-16H,3-9,11-12H2,1-2H3,(H,21,26)(H,22,23,27).
What are the key properties of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 2.02, 5 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-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 56901883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).