5-amino-2-methyl-N-(5-methylhexyl)pyridine-3-carboxamide

C14H23N3O — CID 115324400

IUPAC5-amino-2-methyl-N-(5-methylhexyl)pyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)NCCCCC(C)C
InChIInChI=1S/C14H23N3O/c1-10(2)6-4-5-7-16-14(18)13-8-12(15)9-17-11(13)3/h8-10H,4-7,15H2,1-3H3,(H,16,18)
InChIKeyNMOHNNVTJHMFKE-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.53
Rot. Bonds6

About 5-amino-2-methyl-N-(5-methylhexyl)pyridine-3-carboxamide

5-amino-2-methyl-N-(5-methylhexyl)pyridine-3-carboxamide (PubChem CID 115324400) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(5-methylhexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-(5-methylhexyl)pyridine-3-carboxamide
PubChem CID115324400
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name5-amino-2-methyl-N-(5-methylhexyl)pyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)NCCCCC(C)C
InChIInChI=1S/C14H23N3O/c1-10(2)6-4-5-7-16-14(18)13-8-12(15)9-17-11(13)3/h8-10H,4-7,15H2,1-3H3,(H,16,18)
InChIKeyNMOHNNVTJHMFKE-UHFFFAOYSA-N
XLogP2.53
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.53
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

5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 106033015
4-amino-6-methyl-N-(7-methyloctyl)pyridine-3-carboxamide
CID 107817984
5-amino-N-(3-ethylsulfanylpropyl)-2-methylpyridine-3-carboxamide
CID 114247736
5-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 54917009
2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide
CID 113287868
5-amino-2-methyl-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61118452
5-amino-2-methyl-N-pentan-2-ylpyridine-3-carboxamide
CID 61040311
5-amino-N-ethyl-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 61040071
5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide
CID 61241531
5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpyridine-3-carboxamide
CID 54917105
5-amino-2-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridine-3-carboxamide
CID 114187151
4-(ethylamino)-6-methyl-N-(5-methylhexyl)pyridine-3-carboxamide
CID 115327297

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(5-methylhexyl)pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-methyl-N-(5-methylhexyl)pyridine-3-carboxamide (CID 115324400) is 5-amino-2-methyl-N-(5-methylhexyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-methyl-N-(5-methylhexyl)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-methyl-N-(5-methylhexyl)pyridine-3-carboxamide is Cc1ncc(N)cc1C(=O)NCCCCC(C)C.
What is the InChIKey of 5-amino-2-methyl-N-(5-methylhexyl)pyridine-3-carboxamide?
The InChIKey is NMOHNNVTJHMFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)6-4-5-7-16-14(18)13-8-12(15)9-17-11(13)3/h8-10H,4-7,15H2,1-3H3,(H,16,18).
What are the key properties of 5-amino-2-methyl-N-(5-methylhexyl)pyridine-3-carboxamide?
5-amino-2-methyl-N-(5-methylhexyl)pyridine-3-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(5-methylhexyl)pyridine-3-carboxamide is sourced from PubChem (CID 115324400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).