N-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide

C19H24N4O — CID 109250918

IUPACN-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(N3CCC(C)CC3)nc2)cc1
InChIInChI=1S/C19H24N4O/c1-3-15-4-6-17(7-5-15)22-18(24)16-12-20-19(21-13-16)23-10-8-14(2)9-11-23/h4-7,12-14H,3,8-11H2,1-2H3,(H,22,24)
InChIKeyQKDRGYMNPHYEHE-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.53
Rot. Bonds4

About N-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide

N-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109250918) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
PubChem CID109250918
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(N3CCC(C)CC3)nc2)cc1
InChIInChI=1S/C19H24N4O/c1-3-15-4-6-17(7-5-15)22-18(24)16-12-20-19(21-13-16)23-10-8-14(2)9-11-23/h4-7,12-14H,3,8-11H2,1-2H3,(H,22,24)
InChIKeyQKDRGYMNPHYEHE-UHFFFAOYSA-N
XLogP3.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264445
N-(4-ethylphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254526
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250972
N-(4-ethylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109323021
N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264239
2-(4-methylpiperidin-1-yl)-N-propylpyrimidine-5-carboxamide
CID 109246476
4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164786
3-bromo-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide
CID 122299943
2-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109264116
N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223112
N-(4-acetamidophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152569
2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109250857

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide (CID 109250918) is N-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide is CCc1ccc(NC(=O)c2cnc(N3CCC(C)CC3)nc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is QKDRGYMNPHYEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-3-15-4-6-17(7-5-15)22-18(24)16-12-20-19(21-13-16)23-10-8-14(2)9-11-23/h4-7,12-14H,3,8-11H2,1-2H3,(H,22,24).
What are the key properties of N-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
N-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109250918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).