6-amino-N,2-dimethyl-N-pyridin-3-ylheptanamide

C14H23N3O — CID 65291290

IUPAC6-amino-N,2-dimethyl-N-pyridin-3-ylheptanamide
SMILESCC(N)CCCC(C)C(=O)N(C)c1cccnc1
InChIInChI=1S/C14H23N3O/c1-11(6-4-7-12(2)15)14(18)17(3)13-8-5-9-16-10-13/h5,8-12H,4,6-7,15H2,1-3H3
InChIKeyAFJGELBLHLWFBI-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.20
Rot. Bonds6

About 6-amino-N,2-dimethyl-N-pyridin-3-ylheptanamide

6-amino-N,2-dimethyl-N-pyridin-3-ylheptanamide (PubChem CID 65291290) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-amino-N,2-dimethyl-N-pyridin-3-ylheptanamide.

Molecular Properties

Compound Name6-amino-N,2-dimethyl-N-pyridin-3-ylheptanamide
PubChem CID65291290
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name6-amino-N,2-dimethyl-N-pyridin-3-ylheptanamide
SMILESCC(N)CCCC(C)C(=O)N(C)c1cccnc1
InChIInChI=1S/C14H23N3O/c1-11(6-4-7-12(2)15)14(18)17(3)13-8-5-9-16-10-13/h5,8-12H,4,6-7,15H2,1-3H3
InChIKeyAFJGELBLHLWFBI-UHFFFAOYSA-N
XLogP2.20
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N,2-dimethyl-N-pyridin-3-ylheptanamide?
The IUPAC name of 6-amino-N,2-dimethyl-N-pyridin-3-ylheptanamide (CID 65291290) is 6-amino-N,2-dimethyl-N-pyridin-3-ylheptanamide.
What is the SMILES notation for 6-amino-N,2-dimethyl-N-pyridin-3-ylheptanamide?
The canonical SMILES for 6-amino-N,2-dimethyl-N-pyridin-3-ylheptanamide is CC(N)CCCC(C)C(=O)N(C)c1cccnc1.
What is the InChIKey of 6-amino-N,2-dimethyl-N-pyridin-3-ylheptanamide?
The InChIKey is AFJGELBLHLWFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(6-4-7-12(2)15)14(18)17(3)13-8-5-9-16-10-13/h5,8-12H,4,6-7,15H2,1-3H3.
What are the key properties of 6-amino-N,2-dimethyl-N-pyridin-3-ylheptanamide?
6-amino-N,2-dimethyl-N-pyridin-3-ylheptanamide has a molecular weight of 249.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N,2-dimethyl-N-pyridin-3-ylheptanamide is sourced from PubChem (CID 65291290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).