2-(azepan-1-yl)-6-(cyclopropanecarbonylamino)pyridine-3-carboxylic acid

C16H21N3O3 — CID 175884373

IUPAC2-(azepan-1-yl)-6-(cyclopropanecarbonylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)C2CC2)nc1N1CCCCCC1
InChIInChI=1S/C16H21N3O3/c20-15(11-5-6-11)18-13-8-7-12(16(21)22)14(17-13)19-9-3-1-2-4-10-19/h7-8,11H,1-6,9-10H2,(H,21,22)(H,17,18,20)
InChIKeyLSJDDTLAEXUVFU-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.51
Rot. Bonds4

About 2-(azepan-1-yl)-6-(cyclopropanecarbonylamino)pyridine-3-carboxylic acid

2-(azepan-1-yl)-6-(cyclopropanecarbonylamino)pyridine-3-carboxylic acid (PubChem CID 175884373) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(azepan-1-yl)-6-(cyclopropanecarbonylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(azepan-1-yl)-6-(cyclopropanecarbonylamino)pyridine-3-carboxylic acid
PubChem CID175884373
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-(azepan-1-yl)-6-(cyclopropanecarbonylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)C2CC2)nc1N1CCCCCC1
InChIInChI=1S/C16H21N3O3/c20-15(11-5-6-11)18-13-8-7-12(16(21)22)14(17-13)19-9-3-1-2-4-10-19/h7-8,11H,1-6,9-10H2,(H,21,22)(H,17,18,20)
InChIKeyLSJDDTLAEXUVFU-UHFFFAOYSA-N
XLogP2.51
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(cyclohexanecarbonylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 5223932
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088
N-(6-chloro-5-methyl-2-pyridinyl)cyclopropanecarboxamide
CID 87276605
N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclobutanecarboxamide
CID 51317617
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
3-pyrrolidin-1-ylpyridazine-4-carboxylic acid
CID 80517688
N-[3-(azepan-1-yl)-4-(piperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 53146022
4-amino-N-(2-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1-carboxamide
CID 60847644
6-butyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 151776724
2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid
CID 63654626
N-phenyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide
CID 26978473
N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]cyclopropanecarboxamide
CID 113045004

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-6-(cyclopropanecarbonylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(azepan-1-yl)-6-(cyclopropanecarbonylamino)pyridine-3-carboxylic acid (CID 175884373) is 2-(azepan-1-yl)-6-(cyclopropanecarbonylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(azepan-1-yl)-6-(cyclopropanecarbonylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(azepan-1-yl)-6-(cyclopropanecarbonylamino)pyridine-3-carboxylic acid is O=C(O)c1ccc(NC(=O)C2CC2)nc1N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-6-(cyclopropanecarbonylamino)pyridine-3-carboxylic acid?
The InChIKey is LSJDDTLAEXUVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-15(11-5-6-11)18-13-8-7-12(16(21)22)14(17-13)19-9-3-1-2-4-10-19/h7-8,11H,1-6,9-10H2,(H,21,22)(H,17,18,20).
What are the key properties of 2-(azepan-1-yl)-6-(cyclopropanecarbonylamino)pyridine-3-carboxylic acid?
2-(azepan-1-yl)-6-(cyclopropanecarbonylamino)pyridine-3-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-6-(cyclopropanecarbonylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 175884373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).