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

C27H26FN7O — CID 67268185

IUPAC6-(3-fluorophenyl)-N-[1-[4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2nccc(NCc3ccccn3)n2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C27H26FN7O/c28-21-5-3-4-19(16-21)24-8-7-20(17-31-24)26(36)33-22-10-14-35(15-11-22)27-30-13-9-25(34-27)32-18-23-6-1-2-12-29-23/h1-9,12-13,16-17,22H,10-11,14-15,18H2,(H,33,36)(H,30,32,34)
InChIKeyXQVLRTRIEZFLSA-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.08
Rot. Bonds7

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

6-(3-fluorophenyl)-N-[1-[4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 67268185) has the molecular formula C27H26FN7O and a molecular weight of 483.55 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[1-[4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[1-[4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID67268185
Molecular FormulaC27H26FN7O
Molecular Weight483.55 g/mol
Exact Mass483.22
IUPAC Name6-(3-fluorophenyl)-N-[1-[4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2nccc(NCc3ccccn3)n2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C27H26FN7O/c28-21-5-3-4-19(16-21)24-8-7-20(17-31-24)26(36)33-22-10-14-35(15-11-22)27-30-13-9-25(34-27)32-18-23-6-1-2-12-29-23/h1-9,12-13,16-17,22H,10-11,14-15,18H2,(H,33,36)(H,30,32,34)
InChIKeyXQVLRTRIEZFLSA-UHFFFAOYSA-N
XLogP4.08
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[1-[4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[1-[4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide (CID 67268185) is 6-(3-fluorophenyl)-N-[1-[4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[1-[4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[1-[4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(c2nccc(NCc3ccccn3)n2)CC1)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[1-[4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is XQVLRTRIEZFLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O/c28-21-5-3-4-19(16-21)24-8-7-20(17-31-24)26(36)33-22-10-14-35(15-11-22)27-30-13-9-25(34-27)32-18-23-6-1-2-12-29-23/h1-9,12-13,16-17,22H,10-11,14-15,18H2,(H,33,36)(H,30,32,34).
What are the key properties of 6-(3-fluorophenyl)-N-[1-[4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[1-[4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 483.55 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[1-[4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67268185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).