6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]pyridine-3-carboxamide

C25H27N3O2 — CID 59730169

IUPAC6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CN3CCCCC(c4ccccc4)C3)cc2)nc1
InChIInChI=1S/C25H27N3O2/c26-25(29)21-11-14-24(27-16-21)30-23-12-9-19(10-13-23)17-28-15-5-4-8-22(18-28)20-6-2-1-3-7-20/h1-3,6-7,9-14,16,22H,4-5,8,15,17-18H2,(H2,26,29)
InChIKeyVKPADBVGJUNWJC-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.74
Rot. Bonds6

About 6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]pyridine-3-carboxamide

6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]pyridine-3-carboxamide (PubChem CID 59730169) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]pyridine-3-carboxamide
PubChem CID59730169
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CN3CCCCC(c4ccccc4)C3)cc2)nc1
InChIInChI=1S/C25H27N3O2/c26-25(29)21-11-14-24(27-16-21)30-23-12-9-19(10-13-23)17-28-15-5-4-8-22(18-28)20-6-2-1-3-7-20/h1-3,6-7,9-14,16,22H,4-5,8,15,17-18H2,(H2,26,29)
InChIKeyVKPADBVGJUNWJC-UHFFFAOYSA-N
XLogP4.74
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[[3-(2-fluorophenyl)piperidin-1-yl]methyl]phenoxy]pyridine-3-carboxamide;hydrochloride
CID 68745791
6-[4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]phenoxy]pyridine-3-carboxamide
CID 59730242
6-[4-[[(3R)-1-benzylpyrrolidin-3-yl]iodanuidylmethyl]phenoxy]pyridine-3-carboxamide
CID 147824690
6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]-2,3-dihydropyridine-3-carboxamide
CID 163765321
6-[4-[[(2S)-3,3-dimethyl-2-phenylazetidin-1-yl]methyl]phenoxy]pyridine-3-carboxamide
CID 56849551
6-[4-(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethyl)phenoxy]pyridine-3-carboxamide
CID 59730327
6-[4-[2-(4-benzhydrylpiperidin-1-yl)ethyl]phenoxy]pyridine-3-carboxamide
CID 59729978
6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carboxamide
CID 71560809
4-[4-[(1-benzylpiperidin-3-yl)carbamoyl]phenoxy]benzamide
CID 56545592
4-[[5-[[4-[3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide
CID 69493109
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide
CID 90911796

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]pyridine-3-carboxamide (CID 59730169) is 6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc(CN3CCCCC(c4ccccc4)C3)cc2)nc1.
What is the InChIKey of 6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is VKPADBVGJUNWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c26-25(29)21-11-14-24(27-16-21)30-23-12-9-19(10-13-23)17-28-15-5-4-8-22(18-28)20-6-2-1-3-7-20/h1-3,6-7,9-14,16,22H,4-5,8,15,17-18H2,(H2,26,29).
What are the key properties of 6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]pyridine-3-carboxamide?
6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59730169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).