2-(2-aminocycloheptyl)oxy-6-methylpyridine-4-carboxamide

C14H21N3O2 — CID 114770475

IUPAC2-(2-aminocycloheptyl)oxy-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(N)=O)cc(OC2CCCCCC2N)n1
InChIInChI=1S/C14H21N3O2/c1-9-7-10(14(16)18)8-13(17-9)19-12-6-4-2-3-5-11(12)15/h7-8,11-12H,2-6,15H2,1H3,(H2,16,18)
InChIKeyLFBFKYBZTNKNLK-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.53
Rot. Bonds3

About 2-(2-aminocycloheptyl)oxy-6-methylpyridine-4-carboxamide

2-(2-aminocycloheptyl)oxy-6-methylpyridine-4-carboxamide (PubChem CID 114770475) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2-aminocycloheptyl)oxy-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminocycloheptyl)oxy-6-methylpyridine-4-carboxamide
PubChem CID114770475
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(2-aminocycloheptyl)oxy-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(N)=O)cc(OC2CCCCCC2N)n1
InChIInChI=1S/C14H21N3O2/c1-9-7-10(14(16)18)8-13(17-9)19-12-6-4-2-3-5-11(12)15/h7-8,11-12H,2-6,15H2,1H3,(H2,16,18)
InChIKeyLFBFKYBZTNKNLK-UHFFFAOYSA-N
XLogP1.53
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminocycloheptyl)oxy-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-(2-aminocycloheptyl)oxy-6-methylpyridine-4-carboxamide (CID 114770475) is 2-(2-aminocycloheptyl)oxy-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-(2-aminocycloheptyl)oxy-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-(2-aminocycloheptyl)oxy-6-methylpyridine-4-carboxamide is Cc1cc(C(N)=O)cc(OC2CCCCCC2N)n1.
What is the InChIKey of 2-(2-aminocycloheptyl)oxy-6-methylpyridine-4-carboxamide?
The InChIKey is LFBFKYBZTNKNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-7-10(14(16)18)8-13(17-9)19-12-6-4-2-3-5-11(12)15/h7-8,11-12H,2-6,15H2,1H3,(H2,16,18).
What are the key properties of 2-(2-aminocycloheptyl)oxy-6-methylpyridine-4-carboxamide?
2-(2-aminocycloheptyl)oxy-6-methylpyridine-4-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminocycloheptyl)oxy-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 114770475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).