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

C29H28FN5O — CID 67267477

IUPAC6-(3-fluorophenyl)-N-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccccc1-c1ncc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cn1
InChIInChI=1S/C29H28FN5O/c1-20-5-2-3-8-26(20)28-32-16-21(17-33-28)19-35-13-11-25(12-14-35)34-29(36)23-9-10-27(31-18-23)22-6-4-7-24(30)15-22/h2-10,15-18,25H,11-14,19H2,1H3,(H,34,36)
InChIKeyNWHDHHIBUYTIEH-UHFFFAOYSA-N
MW481.58 g/mol
LogP5.05
Rot. Bonds6

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

6-(3-fluorophenyl)-N-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 67267477) has the molecular formula C29H28FN5O and a molecular weight of 481.58 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID67267477
Molecular FormulaC29H28FN5O
Molecular Weight481.58 g/mol
Exact Mass481.23
IUPAC Name6-(3-fluorophenyl)-N-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccccc1-c1ncc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cn1
InChIInChI=1S/C29H28FN5O/c1-20-5-2-3-8-26(20)28-32-16-21(17-33-28)19-35-13-11-25(12-14-35)34-29(36)23-9-10-27(31-18-23)22-6-4-7-24(30)15-22/h2-10,15-18,25H,11-14,19H2,1H3,(H,34,36)
InChIKeyNWHDHHIBUYTIEH-UHFFFAOYSA-N
XLogP5.05
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.58
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 67267477) is 6-(3-fluorophenyl)-N-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide is Cc1ccccc1-c1ncc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cn1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is NWHDHHIBUYTIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN5O/c1-20-5-2-3-8-26(20)28-32-16-21(17-33-28)19-35-13-11-25(12-14-35)34-29(36)23-9-10-27(31-18-23)22-6-4-7-24(30)15-22/h2-10,15-18,25H,11-14,19H2,1H3,(H,34,36).
What are the key properties of 6-(3-fluorophenyl)-N-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67267477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).