(2R)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)azepane-2-carboxamide

C17H27N3O2 — CID 97205508

IUPAC(2R)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)azepane-2-carboxamide
SMILESCOCCN(Cc1ccccn1)C(=O)[C@H]1CCCCCN1C
InChIInChI=1S/C17H27N3O2/c1-19-11-7-3-4-9-16(19)17(21)20(12-13-22-2)14-15-8-5-6-10-18-15/h5-6,8,10,16H,3-4,7,9,11-14H2,1-2H3/t16-/m1/s1
InChIKeyCAPWGCVZOKUDJU-MRXNPFEDSA-N
MW305.42 g/mol
LogP1.93
Rot. Bonds6

About (2R)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)azepane-2-carboxamide

(2R)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)azepane-2-carboxamide (PubChem CID 97205508) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2R)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)azepane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)azepane-2-carboxamide
PubChem CID97205508
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(2R)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)azepane-2-carboxamide
SMILESCOCCN(Cc1ccccn1)C(=O)[C@H]1CCCCCN1C
InChIInChI=1S/C17H27N3O2/c1-19-11-7-3-4-9-16(19)17(21)20(12-13-22-2)14-15-8-5-6-10-18-15/h5-6,8,10,16H,3-4,7,9,11-14H2,1-2H3/t16-/m1/s1
InChIKeyCAPWGCVZOKUDJU-MRXNPFEDSA-N
XLogP1.93
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-methoxyethyl)-1-methyl-N-[(2-methylphenyl)methyl]azepane-2-carboxamide
CID 97205692
N-(2-methoxyethyl)-1-methyl-N-(naphthalen-1-ylmethyl)azepane-2-carboxamide
CID 74242769
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 60952650
(7S)-N-(2-methoxyethyl)-3-phenyl-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97339584
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 61242673
N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 61242497
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 61242674
1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 56803669
2,2-difluoro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 103515208
(2S)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxathiine-2-carboxamide
CID 95160511
N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55981038
(2S)-N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-1-methylazepane-2-carboxamide
CID 95144039

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)azepane-2-carboxamide?
The IUPAC name of (2R)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)azepane-2-carboxamide (CID 97205508) is (2R)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)azepane-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)azepane-2-carboxamide?
The canonical SMILES for (2R)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)azepane-2-carboxamide is COCCN(Cc1ccccn1)C(=O)[C@H]1CCCCCN1C.
What is the InChIKey of (2R)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)azepane-2-carboxamide?
The InChIKey is CAPWGCVZOKUDJU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-19-11-7-3-4-9-16(19)17(21)20(12-13-22-2)14-15-8-5-6-10-18-15/h5-6,8,10,16H,3-4,7,9,11-14H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)azepane-2-carboxamide?
(2R)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)azepane-2-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)azepane-2-carboxamide is sourced from PubChem (CID 97205508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).