2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid

C14H18N2O3 — CID 122055947

IUPAC2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid
SMILESCC1CCCN(C(=O)c2cc(C(=O)O)ccn2)CC1
InChIInChI=1S/C14H18N2O3/c1-10-3-2-7-16(8-5-10)13(17)12-9-11(14(18)19)4-6-15-12/h4,6,9-10H,2-3,5,7-8H2,1H3,(H,18,19)
InChIKeyCHVGSGCATNRWNI-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.04
Rot. Bonds2

About 2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid

2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid (PubChem CID 122055947) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid
PubChem CID122055947
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid
SMILESCC1CCCN(C(=O)c2cc(C(=O)O)ccn2)CC1
InChIInChI=1S/C14H18N2O3/c1-10-3-2-7-16(8-5-10)13(17)12-9-11(14(18)19)4-6-15-12/h4,6,9-10H,2-3,5,7-8H2,1H3,(H,18,19)
InChIKeyCHVGSGCATNRWNI-UHFFFAOYSA-N
XLogP2.04
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylazepane-1-carbonyl)pyridine-4-carboxylic acid
CID 122055710
N-cyclopentyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109080690
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
(2-bromo-4-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 103754999
4-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109078214
[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109081659
2-[4-(trifluoromethyl)piperidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055905
(4-ethylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone
CID 109084452
2-(3,3,4-trimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122056218
[4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205143
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
N-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081809

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid (CID 122055947) is 2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid is CC1CCCN(C(=O)c2cc(C(=O)O)ccn2)CC1.
What is the InChIKey of 2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid?
The InChIKey is CHVGSGCATNRWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-3-2-7-16(8-5-10)13(17)12-9-11(14(18)19)4-6-15-12/h4,6,9-10H,2-3,5,7-8H2,1H3,(H,18,19).
What are the key properties of 2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid?
2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 122055947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).