7-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]heptanamide

C15H26N4O — CID 119850321

IUPAC7-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]heptanamide
SMILESCN(C)c1ncccc1CNC(=O)CCCCCCN
InChIInChI=1S/C15H26N4O/c1-19(2)15-13(8-7-11-17-15)12-18-14(20)9-5-3-4-6-10-16/h7-8,11H,3-6,9-10,12,16H2,1-2H3,(H,18,20)
InChIKeyCGIMGEKLQLQLSZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.67
Rot. Bonds9

About 7-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]heptanamide

7-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]heptanamide (PubChem CID 119850321) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 7-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]heptanamide
PubChem CID119850321
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name7-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]heptanamide
SMILESCN(C)c1ncccc1CNC(=O)CCCCCCN
InChIInChI=1S/C15H26N4O/c1-19(2)15-13(8-7-11-17-15)12-18-14(20)9-5-3-4-6-10-16/h7-8,11H,3-6,9-10,12,16H2,1-2H3,(H,18,20)
InChIKeyCGIMGEKLQLQLSZ-UHFFFAOYSA-N
XLogP1.67
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide
CID 119850383
6-amino-N-[2-(dimethylamino)-3-pyridinyl]hexanamide
CID 43706742
3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119850372
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(furan-2-yl)propanamide
CID 42244968
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3,3-diphenylpropanamide
CID 55692566
7-amino-N-(pyridin-2-ylmethyl)heptanamide
CID 24706457
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 46463836
3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119953108
6-amino-N-[(2-methylsulfanylphenyl)methyl]hexanamide
CID 110482652
7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide
CID 60924992
2-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylacetamide
CID 119850323
2-(cyclopropylmethylamino)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide;dihydrochloride
CID 119850355

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]heptanamide?
The IUPAC name of 7-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]heptanamide (CID 119850321) is 7-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]heptanamide.
What is the SMILES notation for 7-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]heptanamide?
The canonical SMILES for 7-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]heptanamide is CN(C)c1ncccc1CNC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]heptanamide?
The InChIKey is CGIMGEKLQLQLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-19(2)15-13(8-7-11-17-15)12-18-14(20)9-5-3-4-6-10-16/h7-8,11H,3-6,9-10,12,16H2,1-2H3,(H,18,20).
What are the key properties of 7-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]heptanamide?
7-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]heptanamide has a molecular weight of 278.40 g/mol, XLogP of 1.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]heptanamide is sourced from PubChem (CID 119850321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).