N-(4-acetamidophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide

C19H23N5O2 — CID 109355094

IUPACN-(4-acetamidophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(N3CCCC(C)C3)ncn2)cc1
InChIInChI=1S/C19H23N5O2/c1-13-4-3-9-24(11-13)18-10-17(20-12-21-18)19(26)23-16-7-5-15(6-8-16)22-14(2)25/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyUDDZWFSXYWSVIC-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.92
Rot. Bonds4

About N-(4-acetamidophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide

N-(4-acetamidophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109355094) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109355094
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-(4-acetamidophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(N3CCCC(C)C3)ncn2)cc1
InChIInChI=1S/C19H23N5O2/c1-13-4-3-9-24(11-13)18-10-17(20-12-21-18)19(26)23-16-7-5-15(6-8-16)22-14(2)25/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyUDDZWFSXYWSVIC-UHFFFAOYSA-N
XLogP2.92
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355075
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355106
N-(3,4-difluorophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355141
N-(4-acetylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342268
6-(3-methylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340461
N-(4-acetamidophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312710
N-(4-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342251
N-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342239
N-(3-acetamidophenyl)-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175784
4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109218267
(4-methylpiperidin-1-yl)-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109342388
N-(4-cyanophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342313

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109355094) is N-(4-acetamidophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cc(N3CCCC(C)C3)ncn2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is UDDZWFSXYWSVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-4-3-9-24(11-13)18-10-17(20-12-21-18)19(26)23-16-7-5-15(6-8-16)22-14(2)25/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-acetamidophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-(4-acetamidophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109355094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).