4-(ethylamino)-6-methyl-N-(5-methylhexyl)pyridine-3-carboxamide

C16H27N3O — CID 115327297

IUPAC4-(ethylamino)-6-methyl-N-(5-methylhexyl)pyridine-3-carboxamide
SMILESCCNc1cc(C)ncc1C(=O)NCCCCC(C)C
InChIInChI=1S/C16H27N3O/c1-5-17-15-10-13(4)19-11-14(15)16(20)18-9-7-6-8-12(2)3/h10-12H,5-9H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyMJJUOIMHNCMCEF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.38
Rot. Bonds8

About 4-(ethylamino)-6-methyl-N-(5-methylhexyl)pyridine-3-carboxamide

4-(ethylamino)-6-methyl-N-(5-methylhexyl)pyridine-3-carboxamide (PubChem CID 115327297) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-(ethylamino)-6-methyl-N-(5-methylhexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-6-methyl-N-(5-methylhexyl)pyridine-3-carboxamide
PubChem CID115327297
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-(ethylamino)-6-methyl-N-(5-methylhexyl)pyridine-3-carboxamide
SMILESCCNc1cc(C)ncc1C(=O)NCCCCC(C)C
InChIInChI=1S/C16H27N3O/c1-5-17-15-10-13(4)19-11-14(15)16(20)18-9-7-6-8-12(2)3/h10-12H,5-9H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyMJJUOIMHNCMCEF-UHFFFAOYSA-N
XLogP3.38
TPSA54.02 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 ≤ 53.38
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-propylpyridine-3-carboxamide
CID 81236373
4-(ethylamino)-6-methyl-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
CID 115522163
4-(ethylamino)-6-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 104765505
4-amino-6-methyl-N-(7-methyloctyl)pyridine-3-carboxamide
CID 107817984
N-[2-(carbamoylamino)ethyl]-4-(ethylamino)-6-methylpyridine-3-carboxamide
CID 83114995
4-(ethylamino)-6-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 81240303
N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81235324
4-(ethylamino)-N-(7-methyloctyl)pyridine-3-carboxamide
CID 107817983
4-(ethylamino)-6-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 81240001
4-hydrazinyl-6-methyl-N-pentylpyridine-3-carboxamide
CID 81255877
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-(ethylamino)-6-methylpyridine-3-carboxamide
CID 106280158
4-(ethylamino)-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
CID 81235846

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-6-methyl-N-(5-methylhexyl)pyridine-3-carboxamide?
The IUPAC name of 4-(ethylamino)-6-methyl-N-(5-methylhexyl)pyridine-3-carboxamide (CID 115327297) is 4-(ethylamino)-6-methyl-N-(5-methylhexyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-6-methyl-N-(5-methylhexyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-6-methyl-N-(5-methylhexyl)pyridine-3-carboxamide is CCNc1cc(C)ncc1C(=O)NCCCCC(C)C.
What is the InChIKey of 4-(ethylamino)-6-methyl-N-(5-methylhexyl)pyridine-3-carboxamide?
The InChIKey is MJJUOIMHNCMCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-17-15-10-13(4)19-11-14(15)16(20)18-9-7-6-8-12(2)3/h10-12H,5-9H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 4-(ethylamino)-6-methyl-N-(5-methylhexyl)pyridine-3-carboxamide?
4-(ethylamino)-6-methyl-N-(5-methylhexyl)pyridine-3-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-6-methyl-N-(5-methylhexyl)pyridine-3-carboxamide is sourced from PubChem (CID 115327297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).