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

C17H19FN4O2 — CID 59508963

IUPACN-[6-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCOc1cccc(F)c1-c1cc(NC(=O)C2CCCNC2)ncn1
InChIInChI=1S/C17H19FN4O2/c1-24-14-6-2-5-12(18)16(14)13-8-15(21-10-20-13)22-17(23)11-4-3-7-19-9-11/h2,5-6,8,10-11,19H,3-4,7,9H2,1H3,(H,20,21,22,23)
InChIKeyXAMCFOQPATUPRC-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.23
Rot. Bonds4

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

N-[6-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 59508963) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[6-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID59508963
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-[6-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCOc1cccc(F)c1-c1cc(NC(=O)C2CCCNC2)ncn1
InChIInChI=1S/C17H19FN4O2/c1-24-14-6-2-5-12(18)16(14)13-8-15(21-10-20-13)22-17(23)11-4-3-7-19-9-11/h2,5-6,8,10-11,19H,3-4,7,9H2,1H3,(H,20,21,22,23)
InChIKeyXAMCFOQPATUPRC-UHFFFAOYSA-N
XLogP2.23
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-[6-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide (CID 59508963) is N-[6-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[6-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[6-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide is COc1cccc(F)c1-c1cc(NC(=O)C2CCCNC2)ncn1.
What is the InChIKey of N-[6-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is XAMCFOQPATUPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-24-14-6-2-5-12(18)16(14)13-8-15(21-10-20-13)22-17(23)11-4-3-7-19-9-11/h2,5-6,8,10-11,19H,3-4,7,9H2,1H3,(H,20,21,22,23).
What are the key properties of N-[6-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
N-[6-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 59508963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).