6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]-2,3-dihydropyridine-3-carboxamide

C25H29N3O2 — CID 163765321

IUPAC6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]-2,3-dihydropyridine-3-carboxamide
SMILESNC(=O)C1C=CC(Oc2ccc(CN3CCCCC(c4ccccc4)C3)cc2)=NC1
InChIInChI=1S/C25H29N3O2/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/h1-3,6-7,9-14,21-22H,4-5,8,15-18H2,(H2,26,29)
InChIKeyMBTSQVFBQLVSHQ-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.90
Rot. Bonds5

About 6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]-2,3-dihydropyridine-3-carboxamide

6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]-2,3-dihydropyridine-3-carboxamide (PubChem CID 163765321) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]-2,3-dihydropyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]-2,3-dihydropyridine-3-carboxamide
PubChem CID163765321
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]-2,3-dihydropyridine-3-carboxamide
SMILESNC(=O)C1C=CC(Oc2ccc(CN3CCCCC(c4ccccc4)C3)cc2)=NC1
InChIInChI=1S/C25H29N3O2/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/h1-3,6-7,9-14,21-22H,4-5,8,15-18H2,(H2,26,29)
InChIKeyMBTSQVFBQLVSHQ-UHFFFAOYSA-N
XLogP3.90
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]pyridine-3-carboxamide
CID 59730169
6-[4-[[3-(2-fluorophenyl)piperidin-1-yl]methyl]phenoxy]pyridine-3-carboxamide;hydrochloride
CID 68745791
1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3912866
benzyl 3-(4-methoxyphenyl)azepane-1-carboxylate
CID 121147148
2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]acetamide
CID 70002970
[4-(1-benzylpyrrolidin-3-yl)phenyl]methyl-tert-butylcarbamic acid
CID 54099067
1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 43919796
(3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 93490714
1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-amine
CID 59681853
4-[4-[(1-benzylpiperidin-3-yl)carbamoyl]phenoxy]benzamide
CID 56545592
4-[(3-phenylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 62133576
(1-benzylpyrrolidin-3-yl) 2-cyclopentyl-2-phenylacetate
CID 117065975

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]-2,3-dihydropyridine-3-carboxamide?
The IUPAC name of 6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]-2,3-dihydropyridine-3-carboxamide (CID 163765321) is 6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]-2,3-dihydropyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]-2,3-dihydropyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]-2,3-dihydropyridine-3-carboxamide is NC(=O)C1C=CC(Oc2ccc(CN3CCCCC(c4ccccc4)C3)cc2)=NC1.
What is the InChIKey of 6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]-2,3-dihydropyridine-3-carboxamide?
The InChIKey is MBTSQVFBQLVSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/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/h1-3,6-7,9-14,21-22H,4-5,8,15-18H2,(H2,26,29).
What are the key properties of 6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]-2,3-dihydropyridine-3-carboxamide?
6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]-2,3-dihydropyridine-3-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 3.90, 5 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]-2,3-dihydropyridine-3-carboxamide is sourced from PubChem (CID 163765321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).