N-(2,2-dimethylheptyl)-3-(methylamino)pyridine-4-carboxamide

C16H27N3O — CID 105070761

IUPACN-(2,2-dimethylheptyl)-3-(methylamino)pyridine-4-carboxamide
SMILESCCCCCC(C)(C)CNC(=O)c1ccncc1NC
InChIInChI=1S/C16H27N3O/c1-5-6-7-9-16(2,3)12-19-15(20)13-8-10-18-11-14(13)17-4/h8,10-11,17H,5-7,9,12H2,1-4H3,(H,19,20)
InChIKeyKBKHDBIDFQPCJZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.46
Rot. Bonds8

About N-(2,2-dimethylheptyl)-3-(methylamino)pyridine-4-carboxamide

N-(2,2-dimethylheptyl)-3-(methylamino)pyridine-4-carboxamide (PubChem CID 105070761) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(2,2-dimethylheptyl)-3-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylheptyl)-3-(methylamino)pyridine-4-carboxamide
PubChem CID105070761
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(2,2-dimethylheptyl)-3-(methylamino)pyridine-4-carboxamide
SMILESCCCCCC(C)(C)CNC(=O)c1ccncc1NC
InChIInChI=1S/C16H27N3O/c1-5-6-7-9-16(2,3)12-19-15(20)13-8-10-18-11-14(13)17-4/h8,10-11,17H,5-7,9,12H2,1-4H3,(H,19,20)
InChIKeyKBKHDBIDFQPCJZ-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
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-(2,2-dimethylheptyl)-3-fluoropyridine-4-carboxamide
CID 115686817
N-ethyl-3-(methylamino)pyridine-4-carboxamide
CID 105068179
N-[2-(dimethylamino)-2-methylpropyl]-3-(methylamino)pyridine-4-carboxamide
CID 105069666
3-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
CID 105070655
3-(methylamino)-N-octan-2-ylpyridine-4-carboxamide
CID 105069105
2-bromo-N-(2,2-dimethylheptyl)pyridine-3-carboxamide
CID 103755991
3-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)pyridine-4-carboxamide
CID 103825033
N-(2-methoxy-2-methylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071169
3-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
CID 105070656
N-(2,2-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
CID 103464518
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-(methylamino)pyridine-3-carboxamide
CID 106280202
N-(2,2-dimethylheptyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103747347

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylheptyl)-3-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2,2-dimethylheptyl)-3-(methylamino)pyridine-4-carboxamide (CID 105070761) is N-(2,2-dimethylheptyl)-3-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2,2-dimethylheptyl)-3-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2,2-dimethylheptyl)-3-(methylamino)pyridine-4-carboxamide is CCCCCC(C)(C)CNC(=O)c1ccncc1NC.
What is the InChIKey of N-(2,2-dimethylheptyl)-3-(methylamino)pyridine-4-carboxamide?
The InChIKey is KBKHDBIDFQPCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-6-7-9-16(2,3)12-19-15(20)13-8-10-18-11-14(13)17-4/h8,10-11,17H,5-7,9,12H2,1-4H3,(H,19,20).
What are the key properties of N-(2,2-dimethylheptyl)-3-(methylamino)pyridine-4-carboxamide?
N-(2,2-dimethylheptyl)-3-(methylamino)pyridine-4-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylheptyl)-3-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105070761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).