6-(3-fluorophenyl)-N-(1-pyrido[2,3-d]pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide

C24H21FN6O — CID 67267466

IUPAC6-(3-fluorophenyl)-N-(1-pyrido[2,3-d]pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2ncc3cccnc3n2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C24H21FN6O/c25-19-5-1-3-16(13-19)21-7-6-18(15-27-21)23(32)29-20-8-11-31(12-9-20)24-28-14-17-4-2-10-26-22(17)30-24/h1-7,10,13-15,20H,8-9,11-12H2,(H,29,32)
InChIKeyFOQSCVIMSYVFLI-UHFFFAOYSA-N
MW428.47 g/mol
LogP3.62
Rot. Bonds4

About 6-(3-fluorophenyl)-N-(1-pyrido[2,3-d]pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide

6-(3-fluorophenyl)-N-(1-pyrido[2,3-d]pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide (PubChem CID 67267466) has the molecular formula C24H21FN6O and a molecular weight of 428.47 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-(1-pyrido[2,3-d]pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-(1-pyrido[2,3-d]pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide
PubChem CID67267466
Molecular FormulaC24H21FN6O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC Name6-(3-fluorophenyl)-N-(1-pyrido[2,3-d]pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2ncc3cccnc3n2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C24H21FN6O/c25-19-5-1-3-16(13-19)21-7-6-18(15-27-21)23(32)29-20-8-11-31(12-9-20)24-28-14-17-4-2-10-26-22(17)30-24/h1-7,10,13-15,20H,8-9,11-12H2,(H,29,32)
InChIKeyFOQSCVIMSYVFLI-UHFFFAOYSA-N
XLogP3.62
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 53.62
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-pyrido[2,3-d]pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-(1-pyrido[2,3-d]pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide (CID 67267466) is 6-(3-fluorophenyl)-N-(1-pyrido[2,3-d]pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-(1-pyrido[2,3-d]pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-(1-pyrido[2,3-d]pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide is O=C(NC1CCN(c2ncc3cccnc3n2)CC1)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of 6-(3-fluorophenyl)-N-(1-pyrido[2,3-d]pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide?
The InChIKey is FOQSCVIMSYVFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O/c25-19-5-1-3-16(13-19)21-7-6-18(15-27-21)23(32)29-20-8-11-31(12-9-20)24-28-14-17-4-2-10-26-22(17)30-24/h1-7,10,13-15,20H,8-9,11-12H2,(H,29,32).
What are the key properties of 6-(3-fluorophenyl)-N-(1-pyrido[2,3-d]pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-(1-pyrido[2,3-d]pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 3.62, 4 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-pyrido[2,3-d]pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 67267466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).