N-[(4-methylphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide

C23H24N4O — CID 53098874

IUPACN-[(4-methylphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
SMILESCc1ccc(CNC(=O)c2ccc(-c3cc(N4CCCC4)ncn3)cc2)cc1
InChIInChI=1S/C23H24N4O/c1-17-4-6-18(7-5-17)15-24-23(28)20-10-8-19(9-11-20)21-14-22(26-16-25-21)27-12-2-3-13-27/h4-11,14,16H,2-3,12-13,15H2,1H3,(H,24,28)
InChIKeyFYKHXNULBSPCDO-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.98
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide

N-[(4-methylphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide (PubChem CID 53098874) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
PubChem CID53098874
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[(4-methylphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
SMILESCc1ccc(CNC(=O)c2ccc(-c3cc(N4CCCC4)ncn3)cc2)cc1
InChIInChI=1S/C23H24N4O/c1-17-4-6-18(7-5-17)15-24-23(28)20-10-8-19(9-11-20)21-14-22(26-16-25-21)27-12-2-3-13-27/h4-11,14,16H,2-3,12-13,15H2,1H3,(H,24,28)
InChIKeyFYKHXNULBSPCDO-UHFFFAOYSA-N
XLogP3.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 53098915
N-[(4-propan-2-ylphenyl)methyl]-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53099037
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 90519752
(4-ethylphenyl)-[4-[6-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 50841152
N-[3-(2-methylpiperidin-1-yl)propyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098882
N-(3,5-dimethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098854
N-(4-ethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098839
N-(4-bromo-3-methylphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098851
N-(4-chlorophenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098855
[4-(6-piperidin-1-ylpyrimidin-4-yl)phenyl]methanol
CID 39805289
N-[(4-methylsulfanylphenyl)methyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062037
N-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53009839

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide (CID 53098874) is N-[(4-methylphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide is Cc1ccc(CNC(=O)c2ccc(-c3cc(N4CCCC4)ncn3)cc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide?
The InChIKey is FYKHXNULBSPCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-17-4-6-18(7-5-17)15-24-23(28)20-10-8-19(9-11-20)21-14-22(26-16-25-21)27-12-2-3-13-27/h4-11,14,16H,2-3,12-13,15H2,1H3,(H,24,28).
What are the key properties of N-[(4-methylphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide?
N-[(4-methylphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide has a molecular weight of 372.47 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 53098874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).