6-(3-fluorophenyl)-N-[1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide

C29H28FN5O2 — CID 67268676

IUPAC6-(3-fluorophenyl)-N-[1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1ccccc1-c1ncc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cn1
InChIInChI=1S/C29H28FN5O2/c1-37-27-8-3-2-7-25(27)28-32-16-20(17-33-28)19-35-13-11-24(12-14-35)34-29(36)22-9-10-26(31-18-22)21-5-4-6-23(30)15-21/h2-10,15-18,24H,11-14,19H2,1H3,(H,34,36)
InChIKeyMHHZQWPTTROWAR-UHFFFAOYSA-N
MW497.57 g/mol
LogP4.75
Rot. Bonds7

About 6-(3-fluorophenyl)-N-[1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 67268676) has the molecular formula C29H28FN5O2 and a molecular weight of 497.57 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID67268676
Molecular FormulaC29H28FN5O2
Molecular Weight497.57 g/mol
Exact Mass497.22
IUPAC Name6-(3-fluorophenyl)-N-[1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1ccccc1-c1ncc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cn1
InChIInChI=1S/C29H28FN5O2/c1-37-27-8-3-2-7-25(27)28-32-16-20(17-33-28)19-35-13-11-24(12-14-35)34-29(36)22-9-10-26(31-18-22)21-5-4-6-23(30)15-21/h2-10,15-18,24H,11-14,19H2,1H3,(H,34,36)
InChIKeyMHHZQWPTTROWAR-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
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-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 67268676) is 6-(3-fluorophenyl)-N-[1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide is COc1ccccc1-c1ncc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cn1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is MHHZQWPTTROWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN5O2/c1-37-27-8-3-2-7-25(27)28-32-16-20(17-33-28)19-35-13-11-24(12-14-35)34-29(36)22-9-10-26(31-18-22)21-5-4-6-23(30)15-21/h2-10,15-18,24H,11-14,19H2,1H3,(H,34,36).
What are the key properties of 6-(3-fluorophenyl)-N-[1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 497.57 g/mol, XLogP of 4.75, 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-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67268676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).