N-(2-aminocycloheptyl)-2-pyridin-3-ylacetamide

C14H21N3O — CID 55169173

IUPACN-(2-aminocycloheptyl)-2-pyridin-3-ylacetamide
SMILESNC1CCCCCC1NC(=O)Cc1cccnc1
InChIInChI=1S/C14H21N3O/c15-12-6-2-1-3-7-13(12)17-14(18)9-11-5-4-8-16-10-11/h4-5,8,10,12-13H,1-3,6-7,9,15H2,(H,17,18)
InChIKeySLRPXBRWZQOUCC-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.40
Rot. Bonds3

About N-(2-aminocycloheptyl)-2-pyridin-3-ylacetamide

N-(2-aminocycloheptyl)-2-pyridin-3-ylacetamide (PubChem CID 55169173) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)-2-pyridin-3-ylacetamide
PubChem CID55169173
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(2-aminocycloheptyl)-2-pyridin-3-ylacetamide
SMILESNC1CCCCCC1NC(=O)Cc1cccnc1
InChIInChI=1S/C14H21N3O/c15-12-6-2-1-3-7-13(12)17-14(18)9-11-5-4-8-16-10-11/h4-5,8,10,12-13H,1-3,6-7,9,15H2,(H,17,18)
InChIKeySLRPXBRWZQOUCC-UHFFFAOYSA-N
XLogP1.40
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)-2-pyridin-3-ylacetamide?
The IUPAC name of N-(2-aminocycloheptyl)-2-pyridin-3-ylacetamide (CID 55169173) is N-(2-aminocycloheptyl)-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-(2-aminocycloheptyl)-2-pyridin-3-ylacetamide?
The canonical SMILES for N-(2-aminocycloheptyl)-2-pyridin-3-ylacetamide is NC1CCCCCC1NC(=O)Cc1cccnc1.
What is the InChIKey of N-(2-aminocycloheptyl)-2-pyridin-3-ylacetamide?
The InChIKey is SLRPXBRWZQOUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-12-6-2-1-3-7-13(12)17-14(18)9-11-5-4-8-16-10-11/h4-5,8,10,12-13H,1-3,6-7,9,15H2,(H,17,18).
What are the key properties of N-(2-aminocycloheptyl)-2-pyridin-3-ylacetamide?
N-(2-aminocycloheptyl)-2-pyridin-3-ylacetamide has a molecular weight of 247.34 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 55169173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).