N-(5-amino-2-pyridinyl)-6-methylheptanamide

C13H21N3O — CID 115273760

IUPACN-(5-amino-2-pyridinyl)-6-methylheptanamide
SMILESCC(C)CCCCC(=O)Nc1ccc(N)cn1
InChIInChI=1S/C13H21N3O/c1-10(2)5-3-4-6-13(17)16-12-8-7-11(14)9-15-12/h7-10H,3-6,14H2,1-2H3,(H,15,16,17)
InChIKeyYSQGJMVFRYVEED-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.82
Rot. Bonds6

About N-(5-amino-2-pyridinyl)-6-methylheptanamide

N-(5-amino-2-pyridinyl)-6-methylheptanamide (PubChem CID 115273760) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(5-amino-2-pyridinyl)-6-methylheptanamide.

Molecular Properties

Compound NameN-(5-amino-2-pyridinyl)-6-methylheptanamide
PubChem CID115273760
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(5-amino-2-pyridinyl)-6-methylheptanamide
SMILESCC(C)CCCCC(=O)Nc1ccc(N)cn1
InChIInChI=1S/C13H21N3O/c1-10(2)5-3-4-6-13(17)16-12-8-7-11(14)9-15-12/h7-10H,3-6,14H2,1-2H3,(H,15,16,17)
InChIKeyYSQGJMVFRYVEED-UHFFFAOYSA-N
XLogP2.82
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.82
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-(5-amino-2-pyridinyl)-5-methylhexanamide
CID 115273731
N-(5-amino-2-pyridinyl)-4-(2-methylphenyl)butanamide
CID 115273765
N-(5-amino-2-pyridinyl)-4-(5-methylfuran-2-yl)butanamide
CID 115273771
N,N'-bis[2-[(5-amino-2-pyridinyl)amino]ethyl]hexanediamide
CID 163474647
N-(5-amino-2-pyridinyl)-2-propylpentanamide
CID 82985458
N-(5-cyano-2-pyridinyl)-4-methylpentanamide
CID 55209976
2-(6-methylheptanoylamino)pyridine-4-carboxylic acid
CID 115273439
N-(5-amino-2-pyridinyl)-2-(dimethylamino)propanamide
CID 90369688
butan-2-yl N-(5-amino-2-pyridinyl)carbamate
CID 150685008
4-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide
CID 82034192
methyl N-(5-amino-2-pyridinyl)carbamate
CID 58772637
1-[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-4-methylpentan-1-one
CID 68719868

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-pyridinyl)-6-methylheptanamide?
The IUPAC name of N-(5-amino-2-pyridinyl)-6-methylheptanamide (CID 115273760) is N-(5-amino-2-pyridinyl)-6-methylheptanamide.
What is the SMILES notation for N-(5-amino-2-pyridinyl)-6-methylheptanamide?
The canonical SMILES for N-(5-amino-2-pyridinyl)-6-methylheptanamide is CC(C)CCCCC(=O)Nc1ccc(N)cn1.
What is the InChIKey of N-(5-amino-2-pyridinyl)-6-methylheptanamide?
The InChIKey is YSQGJMVFRYVEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(2)5-3-4-6-13(17)16-12-8-7-11(14)9-15-12/h7-10H,3-6,14H2,1-2H3,(H,15,16,17).
What are the key properties of N-(5-amino-2-pyridinyl)-6-methylheptanamide?
N-(5-amino-2-pyridinyl)-6-methylheptanamide has a molecular weight of 235.33 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-pyridinyl)-6-methylheptanamide is sourced from PubChem (CID 115273760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).