N-(1-methylpiperidin-4-yl)-6-oxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide

C19H24N4O2 — CID 70756578

IUPACN-(1-methylpiperidin-4-yl)-6-oxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide
SMILESCN1CCC(N(CCc2ccccc2)C(=O)c2cnc[nH]c2=O)CC1
InChIInChI=1S/C19H24N4O2/c1-22-10-8-16(9-11-22)23(12-7-15-5-3-2-4-6-15)19(25)17-13-20-14-21-18(17)24/h2-6,13-14,16H,7-12H2,1H3,(H,20,21,24)
InChIKeyYUDIAYXUEDCSAD-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.55
Rot. Bonds5

About N-(1-methylpiperidin-4-yl)-6-oxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide

N-(1-methylpiperidin-4-yl)-6-oxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 70756578) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-6-oxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-6-oxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide
PubChem CID70756578
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(1-methylpiperidin-4-yl)-6-oxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide
SMILESCN1CCC(N(CCc2ccccc2)C(=O)c2cnc[nH]c2=O)CC1
InChIInChI=1S/C19H24N4O2/c1-22-10-8-16(9-11-22)23(12-7-15-5-3-2-4-6-15)19(25)17-13-20-14-21-18(17)24/h2-6,13-14,16H,7-12H2,1H3,(H,20,21,24)
InChIKeyYUDIAYXUEDCSAD-UHFFFAOYSA-N
XLogP1.55
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-6-oxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-6-oxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide (CID 70756578) is N-(1-methylpiperidin-4-yl)-6-oxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-6-oxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-6-oxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide is CN1CCC(N(CCc2ccccc2)C(=O)c2cnc[nH]c2=O)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-6-oxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is YUDIAYXUEDCSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-22-10-8-16(9-11-22)23(12-7-15-5-3-2-4-6-15)19(25)17-13-20-14-21-18(17)24/h2-6,13-14,16H,7-12H2,1H3,(H,20,21,24).
What are the key properties of N-(1-methylpiperidin-4-yl)-6-oxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide?
N-(1-methylpiperidin-4-yl)-6-oxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-6-oxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70756578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).