2-(4-chlorophenyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide

C19H23ClN4O — CID 125022456

IUPAC2-(4-chlorophenyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
SMILESCc1ncc(CNC(=O)Cc2ccc(Cl)cc2)c([C@H]2CCCN2C)n1
InChIInChI=1S/C19H23ClN4O/c1-13-21-11-15(19(23-13)17-4-3-9-24(17)2)12-22-18(25)10-14-5-7-16(20)8-6-14/h5-8,11,17H,3-4,9-10,12H2,1-2H3,(H,22,25)/t17-/m1/s1
InChIKeyYQRIWTBUAAANPV-QGZVFWFLSA-N
MW358.87 g/mol
LogP3.06
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide

2-(4-chlorophenyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide (PubChem CID 125022456) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
PubChem CID125022456
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name2-(4-chlorophenyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
SMILESCc1ncc(CNC(=O)Cc2ccc(Cl)cc2)c([C@H]2CCCN2C)n1
InChIInChI=1S/C19H23ClN4O/c1-13-21-11-15(19(23-13)17-4-3-9-24(17)2)12-22-18(25)10-14-5-7-16(20)8-6-14/h5-8,11,17H,3-4,9-10,12H2,1-2H3,(H,22,25)/t17-/m1/s1
InChIKeyYQRIWTBUAAANPV-QGZVFWFLSA-N
XLogP3.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 125008457
N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 125019389
4-(methoxymethyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 125022123
N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 124949611
3-fluoro-4-methyl-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 124970354
N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1H-pyrazole-5-carboxamide
CID 124976141
3-(1,3-dimethylpyrazol-4-yl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]propanamide
CID 124972941
N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide
CID 124947769
6-methoxy-N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]pyridine-3-carboxamide
CID 110117377
N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 124939653
N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-1H-indole-2-carboxamide
CID 155983693
4-ethyl-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]thiadiazole-5-carboxamide
CID 125018109

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide (CID 125022456) is 2-(4-chlorophenyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide is Cc1ncc(CNC(=O)Cc2ccc(Cl)cc2)c([C@H]2CCCN2C)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide?
The InChIKey is YQRIWTBUAAANPV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-13-21-11-15(19(23-13)17-4-3-9-24(17)2)12-22-18(25)10-14-5-7-16(20)8-6-14/h5-8,11,17H,3-4,9-10,12H2,1-2H3,(H,22,25)/t17-/m1/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide?
2-(4-chlorophenyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide has a molecular weight of 358.87 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide is sourced from PubChem (CID 125022456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).