6-amino-2-methyl-N-(pyridin-3-ylmethyl)heptanamide

C14H23N3O — CID 65292854

IUPAC6-amino-2-methyl-N-(pyridin-3-ylmethyl)heptanamide
SMILESCC(N)CCCC(C)C(=O)NCc1cccnc1
InChIInChI=1S/C14H23N3O/c1-11(5-3-6-12(2)15)14(18)17-10-13-7-4-8-16-9-13/h4,7-9,11-12H,3,5-6,10,15H2,1-2H3,(H,17,18)
InChIKeyIAILUQQJHBCCQV-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.85
Rot. Bonds7

About 6-amino-2-methyl-N-(pyridin-3-ylmethyl)heptanamide

6-amino-2-methyl-N-(pyridin-3-ylmethyl)heptanamide (PubChem CID 65292854) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-amino-2-methyl-N-(pyridin-3-ylmethyl)heptanamide.

Molecular Properties

Compound Name6-amino-2-methyl-N-(pyridin-3-ylmethyl)heptanamide
PubChem CID65292854
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name6-amino-2-methyl-N-(pyridin-3-ylmethyl)heptanamide
SMILESCC(N)CCCC(C)C(=O)NCc1cccnc1
InChIInChI=1S/C14H23N3O/c1-11(5-3-6-12(2)15)14(18)17-10-13-7-4-8-16-9-13/h4,7-9,11-12H,3,5-6,10,15H2,1-2H3,(H,17,18)
InChIKeyIAILUQQJHBCCQV-UHFFFAOYSA-N
XLogP1.85
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
CID 88670625
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
2-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510
6-amino-2-methyl-N-[(4-propan-2-ylphenyl)methyl]heptanamide
CID 65291164
2-(2-aminoethyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 112515558
N-(3-aminobutyl)-2-pyridin-3-ylacetamide
CID 63253983
2-amino-3-methyl-N-(pyridin-3-ylmethyl)pentanamide;2,2,2-trifluoroacetic acid
CID 22068505
6-amino-N,2-dimethyl-N-pyridin-3-ylheptanamide
CID 65291290
2-(4-aminopentanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 120565146
(2S)-2-hydroxy-4-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 169192519
2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008
2-phenylmethoxy-N-(pyridin-3-ylmethyl)propanamide
CID 42959352

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-N-(pyridin-3-ylmethyl)heptanamide?
The IUPAC name of 6-amino-2-methyl-N-(pyridin-3-ylmethyl)heptanamide (CID 65292854) is 6-amino-2-methyl-N-(pyridin-3-ylmethyl)heptanamide.
What is the SMILES notation for 6-amino-2-methyl-N-(pyridin-3-ylmethyl)heptanamide?
The canonical SMILES for 6-amino-2-methyl-N-(pyridin-3-ylmethyl)heptanamide is CC(N)CCCC(C)C(=O)NCc1cccnc1.
What is the InChIKey of 6-amino-2-methyl-N-(pyridin-3-ylmethyl)heptanamide?
The InChIKey is IAILUQQJHBCCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(5-3-6-12(2)15)14(18)17-10-13-7-4-8-16-9-13/h4,7-9,11-12H,3,5-6,10,15H2,1-2H3,(H,17,18).
What are the key properties of 6-amino-2-methyl-N-(pyridin-3-ylmethyl)heptanamide?
6-amino-2-methyl-N-(pyridin-3-ylmethyl)heptanamide has a molecular weight of 249.36 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-N-(pyridin-3-ylmethyl)heptanamide is sourced from PubChem (CID 65292854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).