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

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Related Compounds

2-[3-(4-Fluoro-2-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one;hydrochloride
CID 137651411
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid (4-methoxy-phenyl)-amide
CID 3221265
1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 3224210
N-(4-fluorophenyl)-6-(2-methoxyphenyl)pyrimidin-4-amine
CID 3234968
4-(2-Methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25129526
Cdk-IN-2
CID 50991505
(1S,3R)-3-Acetamido-N-(4-(4-fluoro-2-methoxyphenyl)pyridin-2-yl)cyclohexane-1-carboxamide
CID 53373586
cis-(1R,3S)-3-acetamido-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopentane-1-carboxamide
CID 53380162
4-(2-Methoxyphenyl)-6-[3-(sulfamoylamino)anilino]pyrimidine
CID 86580301
(2R)-2-amino-N-(3-methoxy-4-pyrimidin-4-ylphenyl)-4-methylpentanamide
CID 117813723
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 59508975
6-Oxo-piperidine-3-carboxylic acid [6-(2-methoxy-phenyl)-pyrimidin-4-yl]-amide
CID 59508976

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).