(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-phenylpyrrolidine-3-carboxamide

C18H22N4O — CID 124886900

IUPAC(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-phenylpyrrolidine-3-carboxamide
SMILESCc1cc(C)nc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1
InChIInChI=1S/C18H22N4O/c1-13-11-14(2)20-18(19-13)22-10-9-15(12-22)17(23)21(3)16-7-5-4-6-8-16/h4-8,11,15H,9-10,12H2,1-3H3/t15-/m0/s1
InChIKeyCVDKJMZFJVZHGQ-HNNXBMFYSA-N
MW310.40 g/mol
LogP2.58
Rot. Bonds3

About (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-phenylpyrrolidine-3-carboxamide

(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-phenylpyrrolidine-3-carboxamide (PubChem CID 124886900) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-phenylpyrrolidine-3-carboxamide
PubChem CID124886900
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-phenylpyrrolidine-3-carboxamide
SMILESCc1cc(C)nc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1
InChIInChI=1S/C18H22N4O/c1-13-11-14(2)20-18(19-13)22-10-9-15(12-22)17(23)21(3)16-7-5-4-6-8-16/h4-8,11,15H,9-10,12H2,1-3H3/t15-/m0/s1
InChIKeyCVDKJMZFJVZHGQ-HNNXBMFYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)-N,N-dimethylpiperidine-3-carboxamide
CID 47473849
N-methyl-1-(6-methylpyridazin-3-yl)-N-phenylpiperidine-4-carboxamide
CID 121118902
N-cyclopropyl-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-3-carboxamide
CID 166603024
4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237916
N-methyl-1-[(8-methylquinolin-6-yl)methyl]-N-phenylpyrrolidine-3-carboxamide
CID 166228442
1-[(2R)-4-(4,6-dimethylpyrimidin-2-yl)-2-phenylpiperazin-1-yl]ethanone
CID 124985315
(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-methyl-N-phenylpiperidine-4-carboxamide
CID 90519567
1-methoxy-N-methyl-N-phenylpiperidine-3-carboxamide
CID 67422157
4-(4,6-dimethylpyrimidin-2-yl)-N,N,1-trimethylpiperazine-2-carboxamide
CID 110259085
1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid
CID 28513181
N-methyl-N-phenyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514486

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-phenylpyrrolidine-3-carboxamide (CID 124886900) is (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-phenylpyrrolidine-3-carboxamide is Cc1cc(C)nc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1.
What is the InChIKey of (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is CVDKJMZFJVZHGQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-11-14(2)20-18(19-13)22-10-9-15(12-22)17(23)21(3)16-7-5-4-6-8-16/h4-8,11,15H,9-10,12H2,1-3H3/t15-/m0/s1.
What are the key properties of (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-phenylpyrrolidine-3-carboxamide?
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 124886900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).