N-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide

C24H31ClFN5O2 — CID 50991962

About N-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide

N-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 50991962) has the molecular formula C24H31ClFN5O2 and a molecular weight of 476.00 g/mol. Its IUPAC name is N-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
• PubChem CID: 50991962
• Molecular Formula: C24H31ClFN5O2
• Molecular Weight: 476.00 g/mol
• Exact Mass: 475.22
• IUPAC Name: N-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
• SMILES: CC1(C)C[C@H](CNc2nc(-c3cc(NC(=O)C4CCCNC4)ncc3Cl)ccc2F)CCO1
• InChI: InChI=1S/C24H31ClFN5O2/c1-24(2)11-15(7-9-33-24)12-29-22-19(26)5-6-20(30-22)17-10-21(28-14-18(17)25)31-23(32)16-4-3-8-27-13-16/h5-6,10,14-16,27H,3-4,7-9,11-13H2,1-2H3,(H,29,30)(H,28,31,32)/t15-,16?/m1/s1
• InChIKey: CQXLVQSBWPBHOE-AAFJCEBUSA-N
• XLogP: 4.49
• TPSA: 88.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.00
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide?

The IUPAC name of N-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide (CID 50991962) is N-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide.

What is the SMILES notation for N-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide?

The canonical SMILES for N-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide is CC1(C)C[C@H](CNc2nc(-c3cc(NC(=O)C4CCCNC4)ncc3Cl)ccc2F)CCO1.

What is the InChIKey of N-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide?

The InChIKey is CQXLVQSBWPBHOE-AAFJCEBUSA-N. The full InChI is InChI=1S/C24H31ClFN5O2/c1-24(2)11-15(7-9-33-24)12-29-22-19(26)5-6-20(30-22)17-10-21(28-14-18(17)25)31-23(32)16-4-3-8-27-13-16/h5-6,10,14-16,27H,3-4,7-9,11-13H2,1-2H3,(H,29,30)(H,28,31,32)/t15-,16?/m1/s1.

What are the key properties of N-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide?

N-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 476.00 g/mol, XLogP of 4.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 50991962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).