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

C20H30N4O3 — CID 95715635

IUPACN-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)N[C@@H]2CC(=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)/t15-/m1/s1
InChIKeyNREMVEKFSCEMGV-OAHLLOKOSA-N
MW374.49 g/mol
LogP2.02
Rot. Bonds5

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

N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 95715635) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID95715635
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)N[C@@H]2CC(=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)/t15-/m1/s1
InChIKeyNREMVEKFSCEMGV-OAHLLOKOSA-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

Analyze N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide with MolForge

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Related Compounds

6-(2-methylpropyl)-2-oxo-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]-1H-pyrimidine-4-carboxamide
CID 91789386
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 95719498
6-(2-methylpropyl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1H-pyrimidine-4-carboxamide
CID 131916547
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-5-methyl-1H-indazole-3-carboxamide
CID 56894877
N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 138992055
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-piperidin-1-ylacetamide
CID 45251324
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-methylbutanamide
CID 110719693
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 26410011
1-butyl-3-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]urea
CID 25281458
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1-methyltriazole-4-carboxamide
CID 95985223
4-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one
CID 91794983
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 25446356

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide (CID 95715635) is N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide is CC(C)Cc1cc(C(=O)N[C@@H]2CC(=O)N(C3CCCCCC3)C2)nc(=O)[nH]1.
What is the InChIKey of N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is NREMVEKFSCEMGV-OAHLLOKOSA-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)/t15-/m1/s1.
What are the key properties of N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
N-[(3R)-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-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 95715635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).