N-[(3R)-1-benzylpyrrolidin-3-yl]-2-cyclopropyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C20H24N4O2 — CID 70740053

IUPACN-[(3R)-1-benzylpyrrolidin-3-yl]-2-cyclopropyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCN(C(=O)c1cnc(C2CC2)[nH]c1=O)[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H24N4O2/c1-23(16-9-10-24(13-16)12-14-5-3-2-4-6-14)20(26)17-11-21-18(15-7-8-15)22-19(17)25/h2-6,11,15-16H,7-10,12-13H2,1H3,(H,21,22,25)/t16-/m1/s1
InChIKeyJZSZHMVOMJKKNF-MRXNPFEDSA-N
MW352.44 g/mol
LogP1.99
Rot. Bonds5

About N-[(3R)-1-benzylpyrrolidin-3-yl]-2-cyclopropyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-[(3R)-1-benzylpyrrolidin-3-yl]-2-cyclopropyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70740053) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[(3R)-1-benzylpyrrolidin-3-yl]-2-cyclopropyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-benzylpyrrolidin-3-yl]-2-cyclopropyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70740053
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[(3R)-1-benzylpyrrolidin-3-yl]-2-cyclopropyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCN(C(=O)c1cnc(C2CC2)[nH]c1=O)[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H24N4O2/c1-23(16-9-10-24(13-16)12-14-5-3-2-4-6-14)20(26)17-11-21-18(15-7-8-15)22-19(17)25/h2-6,11,15-16H,7-10,12-13H2,1H3,(H,21,22,25)/t16-/m1/s1
InChIKeyJZSZHMVOMJKKNF-MRXNPFEDSA-N
XLogP1.99
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-benzylpyrrolidin-3-yl]-2-cyclopropyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

N,2-dimethyl-6-oxo-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide
CID 95725795
N-(1-benzylpyrrolidin-3-yl)-N,2-dimethyl-1,3-benzoxazole-4-carboxamide
CID 136538580
N-(1-benzylpiperidin-3-yl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 75510961
N-(1-benzylpiperidin-4-yl)-2-tert-butyl-N-methyl-1,3-thiazole-5-carboxamide
CID 126767047
N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 124861348
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 74250390
N-(1-benzylazetidin-3-yl)-N-methylacetamide
CID 141369183
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide
CID 124608268
N-methyl-6-oxo-2-(phenoxymethyl)-N-(thian-4-yl)-1H-pyrimidine-5-carboxamide
CID 72888589
N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95805298
2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol
CID 66565025

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-cyclopropyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-cyclopropyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 70740053) is N-[(3R)-1-benzylpyrrolidin-3-yl]-2-cyclopropyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-benzylpyrrolidin-3-yl]-2-cyclopropyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3R)-1-benzylpyrrolidin-3-yl]-2-cyclopropyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide is CN(C(=O)c1cnc(C2CC2)[nH]c1=O)[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-cyclopropyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is JZSZHMVOMJKKNF-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-23(16-9-10-24(13-16)12-14-5-3-2-4-6-14)20(26)17-11-21-18(15-7-8-15)22-19(17)25/h2-6,11,15-16H,7-10,12-13H2,1H3,(H,21,22,25)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-cyclopropyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-cyclopropyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpyrrolidin-3-yl]-2-cyclopropyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70740053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).