4-amino-6-methyl-N-(7-methyloctyl)pyridine-3-carboxamide

C16H27N3O — CID 107817984

IUPAC4-amino-6-methyl-N-(7-methyloctyl)pyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)NCCCCCCC(C)C)cn1
InChIInChI=1S/C16H27N3O/c1-12(2)8-6-4-5-7-9-18-16(20)14-11-19-13(3)10-15(14)17/h10-12H,4-9H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyNAFWPKDONJYOKW-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.31
Rot. Bonds8

About 4-amino-6-methyl-N-(7-methyloctyl)pyridine-3-carboxamide

4-amino-6-methyl-N-(7-methyloctyl)pyridine-3-carboxamide (PubChem CID 107817984) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-amino-6-methyl-N-(7-methyloctyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-6-methyl-N-(7-methyloctyl)pyridine-3-carboxamide
PubChem CID107817984
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-amino-6-methyl-N-(7-methyloctyl)pyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)NCCCCCCC(C)C)cn1
InChIInChI=1S/C16H27N3O/c1-12(2)8-6-4-5-7-9-18-16(20)14-11-19-13(3)10-15(14)17/h10-12H,4-9H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyNAFWPKDONJYOKW-UHFFFAOYSA-N
XLogP3.31
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.31
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

4-(ethylamino)-6-methyl-N-(5-methylhexyl)pyridine-3-carboxamide
CID 115327297
5-amino-2-methyl-N-(5-methylhexyl)pyridine-3-carboxamide
CID 115324400
4-amino-6-methyl-N-octan-2-ylpyridine-3-carboxamide
CID 81243070
2-amino-4-fluoro-N-(7-methyloctyl)benzamide
CID 62075011
4-amino-6-methyl-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 106342544
4-amino-6-methyl-N-(2-methylbutyl)pyridine-3-carboxamide
CID 81240046
2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide
CID 113287868
4-amino-N,6-dimethylpyridine-3-carboxamide
CID 81236701
4-amino-6-methyl-N,N-bis(3-methylbutyl)pyridine-3-carboxamide
CID 107871048
4-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 114188312
4-amino-N-(2-ethoxypropyl)-6-methylpyridine-3-carboxamide
CID 113478178
4-amino-N-(2-cyclopentylethyl)-6-methylpyridine-3-carboxamide
CID 81243330

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-N-(7-methyloctyl)pyridine-3-carboxamide?
The IUPAC name of 4-amino-6-methyl-N-(7-methyloctyl)pyridine-3-carboxamide (CID 107817984) is 4-amino-6-methyl-N-(7-methyloctyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-6-methyl-N-(7-methyloctyl)pyridine-3-carboxamide?
The canonical SMILES for 4-amino-6-methyl-N-(7-methyloctyl)pyridine-3-carboxamide is Cc1cc(N)c(C(=O)NCCCCCCC(C)C)cn1.
What is the InChIKey of 4-amino-6-methyl-N-(7-methyloctyl)pyridine-3-carboxamide?
The InChIKey is NAFWPKDONJYOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)8-6-4-5-7-9-18-16(20)14-11-19-13(3)10-15(14)17/h10-12H,4-9H2,1-3H3,(H2,17,19)(H,18,20).
What are the key properties of 4-amino-6-methyl-N-(7-methyloctyl)pyridine-3-carboxamide?
4-amino-6-methyl-N-(7-methyloctyl)pyridine-3-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-N-(7-methyloctyl)pyridine-3-carboxamide is sourced from PubChem (CID 107817984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).