6-(3-fluorophenyl)-N-[1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide

C29H28FN5O2 — CID 67268045

IUPAC6-(3-fluorophenyl)-N-[1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOCc1cc(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C29H28FN5O2/c1-37-19-25-17-27(34-28(32-25)20-6-3-2-4-7-20)35-14-12-24(13-15-35)33-29(36)22-10-11-26(31-18-22)21-8-5-9-23(30)16-21/h2-11,16-18,24H,12-15,19H2,1H3,(H,33,36)
InChIKeyKNKCNNQOTSXJAP-UHFFFAOYSA-N
MW497.57 g/mol
LogP4.89
Rot. Bonds7

About 6-(3-fluorophenyl)-N-[1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 67268045) has the molecular formula C29H28FN5O2 and a molecular weight of 497.57 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID67268045
Molecular FormulaC29H28FN5O2
Molecular Weight497.57 g/mol
Exact Mass497.22
IUPAC Name6-(3-fluorophenyl)-N-[1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOCc1cc(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C29H28FN5O2/c1-37-19-25-17-27(34-28(32-25)20-6-3-2-4-7-20)35-14-12-24(13-15-35)33-29(36)22-10-11-26(31-18-22)21-8-5-9-23(30)16-21/h2-11,16-18,24H,12-15,19H2,1H3,(H,33,36)
InChIKeyKNKCNNQOTSXJAP-UHFFFAOYSA-N
XLogP4.89
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide (CID 67268045) is 6-(3-fluorophenyl)-N-[1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide is COCc1cc(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is KNKCNNQOTSXJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN5O2/c1-37-19-25-17-27(34-28(32-25)20-6-3-2-4-7-20)35-14-12-24(13-15-35)33-29(36)22-10-11-26(31-18-22)21-8-5-9-23(30)16-21/h2-11,16-18,24H,12-15,19H2,1H3,(H,33,36).
What are the key properties of 6-(3-fluorophenyl)-N-[1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 497.57 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67268045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).