[(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone

C14H21N3O — CID 95710719

IUPAC[(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone
SMILESCN(C)[C@@H]1CCCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C14H21N3O/c1-16(2)12-6-5-10-17(11-8-12)14(18)13-7-3-4-9-15-13/h3-4,7,9,12H,5-6,8,10-11H2,1-2H3/t12-/m1/s1
InChIKeyYNASHPQBHPYWRJ-GFCCVEGCSA-N
MW247.34 g/mol
LogP1.64
Rot. Bonds2

About [(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone

[(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone (PubChem CID 95710719) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone
PubChem CID95710719
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone
SMILESCN(C)[C@@H]1CCCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C14H21N3O/c1-16(2)12-6-5-10-17(11-8-12)14(18)13-7-3-4-9-15-13/h3-4,7,9,12H,5-6,8,10-11H2,1-2H3/t12-/m1/s1
InChIKeyYNASHPQBHPYWRJ-GFCCVEGCSA-N
XLogP1.64
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-4-carboxamide
CID 86983172
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 30346280
pyridin-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122243549
[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 91628265
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047
1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110814030
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951
N-cyclobutyl-N-methylpyridine-2-carboxamide
CID 126857014
[3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 80660201
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 122260869
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone (CID 95710719) is [(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone is CN(C)[C@@H]1CCCN(C(=O)c2ccccn2)CC1.
What is the InChIKey of [(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone?
The InChIKey is YNASHPQBHPYWRJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16(2)12-6-5-10-17(11-8-12)14(18)13-7-3-4-9-15-13/h3-4,7,9,12H,5-6,8,10-11H2,1-2H3/t12-/m1/s1.
What are the key properties of [(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone?
[(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone has a molecular weight of 247.34 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 95710719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).