2-[[6-(azepan-1-yl)pyridine-3-carbonyl]-(oxan-4-yl)amino]acetic acid

C19H27N3O4 — CID 75469156

IUPAC2-[[6-(azepan-1-yl)pyridine-3-carbonyl]-(oxan-4-yl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccc(N2CCCCCC2)nc1)C1CCOCC1
InChIInChI=1S/C19H27N3O4/c23-18(24)14-22(16-7-11-26-12-8-16)19(25)15-5-6-17(20-13-15)21-9-3-1-2-4-10-21/h5-6,13,16H,1-4,7-12,14H2,(H,23,24)
InChIKeyHZMJLOFDKDELCY-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.17
Rot. Bonds5

About 2-[[6-(azepan-1-yl)pyridine-3-carbonyl]-(oxan-4-yl)amino]acetic acid

2-[[6-(azepan-1-yl)pyridine-3-carbonyl]-(oxan-4-yl)amino]acetic acid (PubChem CID 75469156) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-[[6-(azepan-1-yl)pyridine-3-carbonyl]-(oxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[[6-(azepan-1-yl)pyridine-3-carbonyl]-(oxan-4-yl)amino]acetic acid
PubChem CID75469156
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name2-[[6-(azepan-1-yl)pyridine-3-carbonyl]-(oxan-4-yl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccc(N2CCCCCC2)nc1)C1CCOCC1
InChIInChI=1S/C19H27N3O4/c23-18(24)14-22(16-7-11-26-12-8-16)19(25)15-5-6-17(20-13-15)21-9-3-1-2-4-10-21/h5-6,13,16H,1-4,7-12,14H2,(H,23,24)
InChIKeyHZMJLOFDKDELCY-UHFFFAOYSA-N
XLogP2.17
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
6-(azepan-1-yl)-N-propyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119530538
N-methyl-N-(4-methylcyclohexyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 47018145
4-[[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542733
6-[3-[(oxane-4-carbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 131945133
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 38528657
N-(6-piperidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 30179936
2-(dimethylamino)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 170895839
6-[2-carboxyethyl(oxan-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 154842023
6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709
6-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 69276901
1-[6-(azepan-1-yl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 102554636

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(azepan-1-yl)pyridine-3-carbonyl]-(oxan-4-yl)amino]acetic acid?
The IUPAC name of 2-[[6-(azepan-1-yl)pyridine-3-carbonyl]-(oxan-4-yl)amino]acetic acid (CID 75469156) is 2-[[6-(azepan-1-yl)pyridine-3-carbonyl]-(oxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[[6-(azepan-1-yl)pyridine-3-carbonyl]-(oxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[[6-(azepan-1-yl)pyridine-3-carbonyl]-(oxan-4-yl)amino]acetic acid is O=C(O)CN(C(=O)c1ccc(N2CCCCCC2)nc1)C1CCOCC1.
What is the InChIKey of 2-[[6-(azepan-1-yl)pyridine-3-carbonyl]-(oxan-4-yl)amino]acetic acid?
The InChIKey is HZMJLOFDKDELCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c23-18(24)14-22(16-7-11-26-12-8-16)19(25)15-5-6-17(20-13-15)21-9-3-1-2-4-10-21/h5-6,13,16H,1-4,7-12,14H2,(H,23,24).
What are the key properties of 2-[[6-(azepan-1-yl)pyridine-3-carbonyl]-(oxan-4-yl)amino]acetic acid?
2-[[6-(azepan-1-yl)pyridine-3-carbonyl]-(oxan-4-yl)amino]acetic acid has a molecular weight of 361.44 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(azepan-1-yl)pyridine-3-carbonyl]-(oxan-4-yl)amino]acetic acid is sourced from PubChem (CID 75469156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).