N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-6-oxopiperidine-3-carboxamide

C17H18N4O3 — CID 59508976

IUPACN-[6-(2-methoxyphenyl)pyrimidin-4-yl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccccc1-c1cc(NC(=O)C2CCC(=O)NC2)ncn1
InChIInChI=1S/C17H18N4O3/c1-24-14-5-3-2-4-12(14)13-8-15(20-10-19-13)21-17(23)11-6-7-16(22)18-9-11/h2-5,8,10-11H,6-7,9H2,1H3,(H,18,22)(H,19,20,21,23)
InChIKeyNFQWUUWZHAEWSA-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.62
Rot. Bonds4

About N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-6-oxopiperidine-3-carboxamide

N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-6-oxopiperidine-3-carboxamide (PubChem CID 59508976) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(2-methoxyphenyl)pyrimidin-4-yl]-6-oxopiperidine-3-carboxamide
PubChem CID59508976
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-[6-(2-methoxyphenyl)pyrimidin-4-yl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccccc1-c1cc(NC(=O)C2CCC(=O)NC2)ncn1
InChIInChI=1S/C17H18N4O3/c1-24-14-5-3-2-4-12(14)13-8-15(20-10-19-13)21-17(23)11-6-7-16(22)18-9-11/h2-5,8,10-11H,6-7,9H2,1H3,(H,18,22)(H,19,20,21,23)
InChIKeyNFQWUUWZHAEWSA-UHFFFAOYSA-N
XLogP1.62
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-6-oxopiperidine-3-carboxamide (CID 59508976) is N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-6-oxopiperidine-3-carboxamide is COc1ccccc1-c1cc(NC(=O)C2CCC(=O)NC2)ncn1.
What is the InChIKey of N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-6-oxopiperidine-3-carboxamide?
The InChIKey is NFQWUUWZHAEWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-24-14-5-3-2-4-12(14)13-8-15(20-10-19-13)21-17(23)11-6-7-16(22)18-9-11/h2-5,8,10-11H,6-7,9H2,1H3,(H,18,22)(H,19,20,21,23).
What are the key properties of N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-6-oxopiperidine-3-carboxamide?
N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-6-oxopiperidine-3-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 59508976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).