6-(azetidin-1-yl)-N-[2-chloro-5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide

C27H24ClFN6O2 — CID 175663916

About 6-(azetidin-1-yl)-N-[2-chloro-5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide

6-(azetidin-1-yl)-N-[2-chloro-5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide (PubChem CID 175663916) has the molecular formula C27H24ClFN6O2 and a molecular weight of 518.98 g/mol. Its IUPAC name is 6-(azetidin-1-yl)-N-[2-chloro-5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(azetidin-1-yl)-N-[2-chloro-5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
• PubChem CID: 175663916
• Molecular Formula: C27H24ClFN6O2
• Molecular Weight: 518.98 g/mol
• Exact Mass: 518.16
• IUPAC Name: 6-(azetidin-1-yl)-N-[2-chloro-5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
• SMILES: N#Cc1ccc(C2(F)CCN(C(=O)c3ccc(Cl)c(NC(=O)c4ccc(N5CCC5)nc4)c3)CC2)nc1
• InChI: InChI=1S/C27H24ClFN6O2/c28-21-5-3-19(14-22(21)33-25(36)20-4-7-24(32-17-20)34-10-1-11-34)26(37)35-12-8-27(29,9-13-35)23-6-2-18(15-30)16-31-23/h2-7,14,16-17H,1,8-13H2,(H,33,36)
• InChIKey: NCLFWMQGWXBMDZ-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 102.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.98
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-1-yl)-N-[2-chloro-5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide?

The IUPAC name of 6-(azetidin-1-yl)-N-[2-chloro-5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide (CID 175663916) is 6-(azetidin-1-yl)-N-[2-chloro-5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-(azetidin-1-yl)-N-[2-chloro-5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide?

The canonical SMILES for 6-(azetidin-1-yl)-N-[2-chloro-5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide is N#Cc1ccc(C2(F)CCN(C(=O)c3ccc(Cl)c(NC(=O)c4ccc(N5CCC5)nc4)c3)CC2)nc1.

What is the InChIKey of 6-(azetidin-1-yl)-N-[2-chloro-5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide?

The InChIKey is NCLFWMQGWXBMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN6O2/c28-21-5-3-19(14-22(21)33-25(36)20-4-7-24(32-17-20)34-10-1-11-34)26(37)35-12-8-27(29,9-13-35)23-6-2-18(15-30)16-31-23/h2-7,14,16-17H,1,8-13H2,(H,33,36).

What are the key properties of 6-(azetidin-1-yl)-N-[2-chloro-5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide?

6-(azetidin-1-yl)-N-[2-chloro-5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide has a molecular weight of 518.98 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(azetidin-1-yl)-N-[2-chloro-5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 175663916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).