5-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide

C16H27N3O — CID 109195719

IUPAC5-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1ccc(N(C)CCCC)cn1
InChIInChI=1S/C16H27N3O/c1-4-6-8-11-17-16(20)15-10-9-14(13-18-15)19(3)12-7-5-2/h9-10,13H,4-8,11-12H2,1-3H3,(H,17,20)
InChIKeyAIFBEGCOQHSMGK-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.24
Rot. Bonds9

About 5-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide

5-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide (PubChem CID 109195719) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
PubChem CID109195719
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name5-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1ccc(N(C)CCCC)cn1
InChIInChI=1S/C16H27N3O/c1-4-6-8-11-17-16(20)15-10-9-14(13-18-15)19(3)12-7-5-2/h9-10,13H,4-8,11-12H2,1-3H3,(H,17,20)
InChIKeyAIFBEGCOQHSMGK-UHFFFAOYSA-N
XLogP3.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[butyl(methyl)amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109185972
5-[butyl(methyl)amino]-N-propan-2-ylpyridine-2-carboxamide
CID 109179517
N-tert-butyl-5-[butyl(methyl)amino]pyridine-2-carboxamide
CID 109195052
5-[butyl(methyl)amino]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185688
4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
CID 109217497
5-[butyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109196048
N-(3-bromophenyl)-5-[butyl(methyl)amino]pyridine-2-carboxamide
CID 109196108
5-[butyl(methyl)amino]-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109196077
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pentylpyridine-2-carboxamide
CID 109193284
5-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109192949
5-[butyl(methyl)amino]-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109196079
5-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109196096

Frequently Asked Questions

What is the IUPAC name of 5-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide?
The IUPAC name of 5-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide (CID 109195719) is 5-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide.
What is the SMILES notation for 5-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide?
The canonical SMILES for 5-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide is CCCCCNC(=O)c1ccc(N(C)CCCC)cn1.
What is the InChIKey of 5-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide?
The InChIKey is AIFBEGCOQHSMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-6-8-11-17-16(20)15-10-9-14(13-18-15)19(3)12-7-5-2/h9-10,13H,4-8,11-12H2,1-3H3,(H,17,20).
What are the key properties of 5-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide?
5-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide is sourced from PubChem (CID 109195719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).