6-(5-methylhexylamino)pyridine-3-carboxamide

C13H21N3O — CID 79003295

IUPAC6-(5-methylhexylamino)pyridine-3-carboxamide
SMILESCC(C)CCCCNc1ccc(C(N)=O)cn1
InChIInChI=1S/C13H21N3O/c1-10(2)5-3-4-8-15-12-7-6-11(9-16-12)13(14)17/h6-7,9-10H,3-5,8H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyYWOHUJJFTBUUMO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.42
Rot. Bonds7

About 6-(5-methylhexylamino)pyridine-3-carboxamide

6-(5-methylhexylamino)pyridine-3-carboxamide (PubChem CID 79003295) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-(5-methylhexylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-methylhexylamino)pyridine-3-carboxamide
PubChem CID79003295
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name6-(5-methylhexylamino)pyridine-3-carboxamide
SMILESCC(C)CCCCNc1ccc(C(N)=O)cn1
InChIInChI=1S/C13H21N3O/c1-10(2)5-3-4-8-15-12-7-6-11(9-16-12)13(14)17/h6-7,9-10H,3-5,8H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyYWOHUJJFTBUUMO-UHFFFAOYSA-N
XLogP2.42
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.42
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

6-(hexylamino)pyridine-3-carboxamide
CID 112722796
6-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63002439
6-(4-hydroxybutylamino)pyridine-3-carboxamide
CID 106842705
6-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 62663227
6-(3-methylsulfinylpropylamino)pyridine-3-carboxamide
CID 115631413
6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-3-carboxamide
CID 79830819
5-fluoro-N-(7-methyloctyl)pyridin-2-amine
CID 107816143
6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carboxamide
CID 64541071
6-(2-methoxypropylamino)pyridine-3-carboxamide
CID 102699145
6-(4-hydroxybutan-2-ylamino)pyridine-3-carboxamide
CID 79003427
6-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid
CID 106003848
6-(1-aminopropan-2-ylamino)pyridine-3-carboxamide
CID 63732982

Frequently Asked Questions

What is the IUPAC name of 6-(5-methylhexylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(5-methylhexylamino)pyridine-3-carboxamide (CID 79003295) is 6-(5-methylhexylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-methylhexylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(5-methylhexylamino)pyridine-3-carboxamide is CC(C)CCCCNc1ccc(C(N)=O)cn1.
What is the InChIKey of 6-(5-methylhexylamino)pyridine-3-carboxamide?
The InChIKey is YWOHUJJFTBUUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(2)5-3-4-8-15-12-7-6-11(9-16-12)13(14)17/h6-7,9-10H,3-5,8H2,1-2H3,(H2,14,17)(H,15,16).
What are the key properties of 6-(5-methylhexylamino)pyridine-3-carboxamide?
6-(5-methylhexylamino)pyridine-3-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylhexylamino)pyridine-3-carboxamide is sourced from PubChem (CID 79003295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).