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

C24H21FN6O — CID 67268218

IUPAC6-(3-fluorophenyl)-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2ncnc3ncccc23)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C24H21FN6O/c25-18-4-1-3-16(13-18)21-7-6-17(14-27-21)24(32)30-19-8-11-31(12-9-19)23-20-5-2-10-26-22(20)28-15-29-23/h1-7,10,13-15,19H,8-9,11-12H2,(H,30,32)
InChIKeyNHRBTGYDXQYUAN-UHFFFAOYSA-N
MW428.47 g/mol
LogP3.62
Rot. Bonds4

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

6-(3-fluorophenyl)-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyridine-3-carboxamide (PubChem CID 67268218) 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-4-ylpiperidin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyridine-3-carboxamide
PubChem CID67268218
Molecular FormulaC24H21FN6O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC Name6-(3-fluorophenyl)-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2ncnc3ncccc23)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C24H21FN6O/c25-18-4-1-3-16(13-18)21-7-6-17(14-27-21)24(32)30-19-8-11-31(12-9-19)23-20-5-2-10-26-22(20)28-15-29-23/h1-7,10,13-15,19H,8-9,11-12H2,(H,30,32)
InChIKeyNHRBTGYDXQYUAN-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyridine-3-carboxamide (CID 67268218) is 6-(3-fluorophenyl)-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyridine-3-carboxamide is O=C(NC1CCN(c2ncnc3ncccc23)CC1)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of 6-(3-fluorophenyl)-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyridine-3-carboxamide?
The InChIKey is NHRBTGYDXQYUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O/c25-18-4-1-3-16(13-18)21-7-6-17(14-27-21)24(32)30-19-8-11-31(12-9-19)23-20-5-2-10-26-22(20)28-15-29-23/h1-7,10,13-15,19H,8-9,11-12H2,(H,30,32).
What are the key properties of 6-(3-fluorophenyl)-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-(1-pyrido[2,3-d]pyrimidin-4-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-4-ylpiperidin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 67268218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).