2-(4-acetylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide

C19H23N5O2 — CID 109254741

IUPAC2-(4-acetylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCC(=O)N1CCN(c2ncc(C(=O)NCc3cccc(C)c3)cn2)CC1
InChIInChI=1S/C19H23N5O2/c1-14-4-3-5-16(10-14)11-20-18(26)17-12-21-19(22-13-17)24-8-6-23(7-9-24)15(2)25/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,20,26)
InChIKeyDPDIHCZPXJNGMH-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.38
Rot. Bonds4

About 2-(4-acetylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide

2-(4-acetylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109254741) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109254741
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCC(=O)N1CCN(c2ncc(C(=O)NCc3cccc(C)c3)cn2)CC1
InChIInChI=1S/C19H23N5O2/c1-14-4-3-5-16(10-14)11-20-18(26)17-12-21-19(22-13-17)24-8-6-23(7-9-24)15(2)25/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,20,26)
InChIKeyDPDIHCZPXJNGMH-UHFFFAOYSA-N
XLogP1.38
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 109255251
2-(4-acetylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109254754
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980
N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109256107
2-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109254753
2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109254745
2,2-dimethyl-N-[(3-methylphenyl)methyl]-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108961846
N-[(3-methylphenyl)methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109210191
N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 110850770
1-[4-[5-[(3-methylphenyl)methylamino]-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947003
2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109254758
N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 110295113

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide (CID 109254741) is 2-(4-acetylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide is CC(=O)N1CCN(c2ncc(C(=O)NCc3cccc(C)c3)cn2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is DPDIHCZPXJNGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-14-4-3-5-16(10-14)11-20-18(26)17-12-21-19(22-13-17)24-8-6-23(7-9-24)15(2)25/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,20,26).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide?
2-(4-acetylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109254741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).