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

C29H28FN5O — CID 67267167

IUPAC6-(3-fluorophenyl)-N-[1-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ncc1CN1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1
InChIInChI=1S/C29H28FN5O/c1-20-24(18-32-28(33-20)21-6-3-2-4-7-21)19-35-14-12-26(13-15-35)34-29(36)23-10-11-27(31-17-23)22-8-5-9-25(30)16-22/h2-11,16-18,26H,12-15,19H2,1H3,(H,34,36)
InChIKeyOHZYKVMFHLEJKK-UHFFFAOYSA-N
MW481.58 g/mol
LogP5.05
Rot. Bonds6

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

6-(3-fluorophenyl)-N-[1-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 67267167) has the molecular formula C29H28FN5O and a molecular weight of 481.58 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[1-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[1-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID67267167
Molecular FormulaC29H28FN5O
Molecular Weight481.58 g/mol
Exact Mass481.23
IUPAC Name6-(3-fluorophenyl)-N-[1-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ncc1CN1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1
InChIInChI=1S/C29H28FN5O/c1-20-24(18-32-28(33-20)21-6-3-2-4-7-21)19-35-14-12-26(13-15-35)34-29(36)23-10-11-27(31-17-23)22-8-5-9-25(30)16-22/h2-11,16-18,26H,12-15,19H2,1H3,(H,34,36)
InChIKeyOHZYKVMFHLEJKK-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-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[1-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 67267167) is 6-(3-fluorophenyl)-N-[1-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[1-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[1-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide is Cc1nc(-c2ccccc2)ncc1CN1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[1-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is OHZYKVMFHLEJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN5O/c1-20-24(18-32-28(33-20)21-6-3-2-4-7-21)19-35-14-12-26(13-15-35)34-29(36)23-10-11-27(31-17-23)22-8-5-9-25(30)16-22/h2-11,16-18,26H,12-15,19H2,1H3,(H,34,36).
What are the key properties of 6-(3-fluorophenyl)-N-[1-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[1-[(4-methyl-2-phenylpyrimidin-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-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67267167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).