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

C28H26FN5O2 — CID 67267716

IUPAC6-(3-fluorophenyl)-N-[1-[4-(3-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1cccc(-c2ccnc(N3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)n2)c1
InChIInChI=1S/C28H26FN5O2/c1-36-24-7-3-5-20(17-24)26-10-13-30-28(33-26)34-14-11-23(12-15-34)32-27(35)21-8-9-25(31-18-21)19-4-2-6-22(29)16-19/h2-10,13,16-18,23H,11-12,14-15H2,1H3,(H,32,35)
InChIKeyJNXCKPVHWRTQIP-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.75
Rot. Bonds6

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

6-(3-fluorophenyl)-N-[1-[4-(3-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 67267716) has the molecular formula C28H26FN5O2 and a molecular weight of 483.55 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[1-[4-(3-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[1-[4-(3-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID67267716
Molecular FormulaC28H26FN5O2
Molecular Weight483.55 g/mol
Exact Mass483.21
IUPAC Name6-(3-fluorophenyl)-N-[1-[4-(3-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1cccc(-c2ccnc(N3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)n2)c1
InChIInChI=1S/C28H26FN5O2/c1-36-24-7-3-5-20(17-24)26-10-13-30-28(33-26)34-14-11-23(12-15-34)32-27(35)21-8-9-25(31-18-21)19-4-2-6-22(29)16-19/h2-10,13,16-18,23H,11-12,14-15H2,1H3,(H,32,35)
InChIKeyJNXCKPVHWRTQIP-UHFFFAOYSA-N
XLogP4.75
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
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-[4-(3-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[1-[4-(3-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide (CID 67267716) is 6-(3-fluorophenyl)-N-[1-[4-(3-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[1-[4-(3-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[1-[4-(3-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide is COc1cccc(-c2ccnc(N3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)n2)c1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[1-[4-(3-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is JNXCKPVHWRTQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O2/c1-36-24-7-3-5-20(17-24)26-10-13-30-28(33-26)34-14-11-23(12-15-34)32-27(35)21-8-9-25(31-18-21)19-4-2-6-22(29)16-19/h2-10,13,16-18,23H,11-12,14-15H2,1H3,(H,32,35).
What are the key properties of 6-(3-fluorophenyl)-N-[1-[4-(3-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[1-[4-(3-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 483.55 g/mol, XLogP of 4.75, 6 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-[4-(3-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67267716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).