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

C19H24N4O2 — CID 92639481

IUPACN-(4-methoxyphenyl)-4-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(C3CCN(C)CC3)nc2C)cc1
InChIInChI=1S/C19H24N4O2/c1-13-17(19(24)22-15-4-6-16(25-3)7-5-15)12-20-18(21-13)14-8-10-23(2)11-9-14/h4-7,12,14H,8-11H2,1-3H3,(H,22,24)
InChIKeyZTJKJUJBUHKBPK-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.86
Rot. Bonds4

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

N-(4-methoxyphenyl)-4-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide (PubChem CID 92639481) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide
PubChem CID92639481
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(4-methoxyphenyl)-4-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(C3CCN(C)CC3)nc2C)cc1
InChIInChI=1S/C19H24N4O2/c1-13-17(19(24)22-15-4-6-16(25-3)7-5-15)12-20-18(21-13)14-8-10-23(2)11-9-14/h4-7,12,14H,8-11H2,1-3H3,(H,22,24)
InChIKeyZTJKJUJBUHKBPK-UHFFFAOYSA-N
XLogP2.86
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide (CID 92639481) is N-(4-methoxyphenyl)-4-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc(C3CCN(C)CC3)nc2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide?
The InChIKey is ZTJKJUJBUHKBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-17(19(24)22-15-4-6-16(25-3)7-5-15)12-20-18(21-13)14-8-10-23(2)11-9-14/h4-7,12,14H,8-11H2,1-3H3,(H,22,24).
What are the key properties of N-(4-methoxyphenyl)-4-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide?
N-(4-methoxyphenyl)-4-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 92639481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).