7-amino-N-(pyridin-2-ylmethyl)heptanamide

C13H21N3O — CID 24706457

IUPAC7-amino-N-(pyridin-2-ylmethyl)heptanamide
SMILESNCCCCCCC(=O)NCc1ccccn1
InChIInChI=1S/C13H21N3O/c14-9-5-2-1-3-8-13(17)16-11-12-7-4-6-10-15-12/h4,6-7,10H,1-3,5,8-9,11,14H2,(H,16,17)
InChIKeyNCOGMPPYBFKEFF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.61
Rot. Bonds8

About 7-amino-N-(pyridin-2-ylmethyl)heptanamide

7-amino-N-(pyridin-2-ylmethyl)heptanamide (PubChem CID 24706457) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 7-amino-N-(pyridin-2-ylmethyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(pyridin-2-ylmethyl)heptanamide
PubChem CID24706457
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name7-amino-N-(pyridin-2-ylmethyl)heptanamide
SMILESNCCCCCCC(=O)NCc1ccccn1
InChIInChI=1S/C13H21N3O/c14-9-5-2-1-3-8-13(17)16-11-12-7-4-6-10-15-12/h4,6-7,10H,1-3,5,8-9,11,14H2,(H,16,17)
InChIKeyNCOGMPPYBFKEFF-UHFFFAOYSA-N
XLogP1.61
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 75480750
N-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide
CID 51362589
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
N',N'-diphenyl-N-(pyridin-2-ylmethyl)butanediamide
CID 4566604
5-(4-fluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pentanamide
CID 110298088
6-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]hexanamide
CID 110482606
4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 127115863
N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide
CID 43315841
N-[[4-(2-aminoethyl)phenyl]methyl]-3-pyridin-2-ylpropanamide
CID 81485528
6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(pyridin-2-ylmethyl)hexanamide
CID 45493872

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(pyridin-2-ylmethyl)heptanamide?
The IUPAC name of 7-amino-N-(pyridin-2-ylmethyl)heptanamide (CID 24706457) is 7-amino-N-(pyridin-2-ylmethyl)heptanamide.
What is the SMILES notation for 7-amino-N-(pyridin-2-ylmethyl)heptanamide?
The canonical SMILES for 7-amino-N-(pyridin-2-ylmethyl)heptanamide is NCCCCCCC(=O)NCc1ccccn1.
What is the InChIKey of 7-amino-N-(pyridin-2-ylmethyl)heptanamide?
The InChIKey is NCOGMPPYBFKEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c14-9-5-2-1-3-8-13(17)16-11-12-7-4-6-10-15-12/h4,6-7,10H,1-3,5,8-9,11,14H2,(H,16,17).
What are the key properties of 7-amino-N-(pyridin-2-ylmethyl)heptanamide?
7-amino-N-(pyridin-2-ylmethyl)heptanamide has a molecular weight of 235.33 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(pyridin-2-ylmethyl)heptanamide is sourced from PubChem (CID 24706457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).