2-chloro-6-[4-[3-[[(2S)-2-(2-fluorophenyl)oxolane-2-carbonyl]-methylamino]propyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

About 2-chloro-6-[4-[3-[[(2S)-2-(2-fluorophenyl)oxolane-2-carbonyl]-methylamino]propyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

2-chloro-6-[4-[3-[[(2S)-2-(2-fluorophenyl)oxolane-2-carbonyl]-methylamino]propyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 134437243) has the molecular formula C28H36ClFN4O3 and a molecular weight of 531.07 g/mol. Its IUPAC name is 2-chloro-6-[4-[3-[[(2S)-2-(2-fluorophenyl)oxolane-2-carbonyl]-methylamino]propyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name	2-chloro-6-[4-[3-[[(2S)-2-(2-fluorophenyl)oxolane-2-carbonyl]-methylamino]propyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID	134437243
Molecular Formula	C28H36ClFN4O3
Molecular Weight	531.07 g/mol
Exact Mass	530.25
IUPAC Name	2-chloro-6-[4-[3-[[(2S)-2-(2-fluorophenyl)oxolane-2-carbonyl]-methylamino]propyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILES	CN(C)C(=O)c1ccc(N2CCC(CCCN(C)C(=O)[C@@]3(c4ccccc4F)CCCO3)CC2)nc1Cl
InChI	InChI=1S/C28H36ClFN4O3/c1-32(2)26(35)21-11-12-24(31-25(21)29)34-17-13-20(14-18-34)8-6-16-33(3)27(36)28(15-7-19-37-28)22-9-4-5-10-23(22)30/h4-5,9-12,20H,6-8,13-19H2,1-3H3/t28-/m0/s1
InChIKey	SRBYVLBZPUWZAT-NDEPHWFRSA-N
XLogP	4.74
TPSA	65.98 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.07
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[4-[3-[[(2S)-2-(2-fluorophenyl)oxolane-2-carbonyl]-methylamino]propyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?

The IUPAC name of 2-chloro-6-[4-[3-[[(2S)-2-(2-fluorophenyl)oxolane-2-carbonyl]-methylamino]propyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (CID 134437243) is 2-chloro-6-[4-[3-[[(2S)-2-(2-fluorophenyl)oxolane-2-carbonyl]-methylamino]propyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.

What is the SMILES notation for 2-chloro-6-[4-[3-[[(2S)-2-(2-fluorophenyl)oxolane-2-carbonyl]-methylamino]propyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?

The canonical SMILES for 2-chloro-6-[4-[3-[[(2S)-2-(2-fluorophenyl)oxolane-2-carbonyl]-methylamino]propyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(N2CCC(CCCN(C)C(=O)[C@@]3(c4ccccc4F)CCCO3)CC2)nc1Cl.

What is the InChIKey of 2-chloro-6-[4-[3-[[(2S)-2-(2-fluorophenyl)oxolane-2-carbonyl]-methylamino]propyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?

The InChIKey is SRBYVLBZPUWZAT-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H36ClFN4O3/c1-32(2)26(35)21-11-12-24(31-25(21)29)34-17-13-20(14-18-34)8-6-16-33(3)27(36)28(15-7-19-37-28)22-9-4-5-10-23(22)30/h4-5,9-12,20H,6-8,13-19H2,1-3H3/t28-/m0/s1.

What are the key properties of 2-chloro-6-[4-[3-[[(2S)-2-(2-fluorophenyl)oxolane-2-carbonyl]-methylamino]propyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?

2-chloro-6-[4-[3-[[(2S)-2-(2-fluorophenyl)oxolane-2-carbonyl]-methylamino]propyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 531.07 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-[4-[3-[[(2S)-2-(2-fluorophenyl)oxolane-2-carbonyl]-methylamino]propyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 134437243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).