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

C16H27N3O — CID 109217497

IUPAC4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1cc(N(C)CCCC)ccn1
InChIInChI=1S/C16H27N3O/c1-4-6-8-10-18-16(20)15-13-14(9-11-17-15)19(3)12-7-5-2/h9,11,13H,4-8,10,12H2,1-3H3,(H,18,20)
InChIKeyPFLQFYGISFXUHD-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.24
Rot. Bonds9

About 4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide

4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide (PubChem CID 109217497) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
PubChem CID109217497
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1cc(N(C)CCCC)ccn1
InChIInChI=1S/C16H27N3O/c1-4-6-8-10-18-16(20)15-13-14(9-11-17-15)19(3)12-7-5-2/h9,11,13H,4-8,10,12H2,1-3H3,(H,18,20)
InChIKeyPFLQFYGISFXUHD-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

4-(diethylamino)-N-pentylpyridine-2-carboxamide
CID 109216501
N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide
CID 109217701
4-[butyl(methyl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211411
4-[butyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214268
5-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
CID 109195719
4-[butyl(methyl)amino]pyridine-2-carboxamide
CID 133313214
N-ethyl-4-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxamide
CID 107203439
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
4-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109217835
4-[butyl(methyl)amino]-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109217837
4-bromo-N-dodecylpyridine-2-carboxamide
CID 132587561
4-chloro-N-hexylpyridine-2-carboxamide
CID 60656473

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide?
The IUPAC name of 4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide (CID 109217497) is 4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide.
What is the SMILES notation for 4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide?
The canonical SMILES for 4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide is CCCCCNC(=O)c1cc(N(C)CCCC)ccn1.
What is the InChIKey of 4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide?
The InChIKey is PFLQFYGISFXUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-6-8-10-18-16(20)15-13-14(9-11-17-15)19(3)12-7-5-2/h9,11,13H,4-8,10,12H2,1-3H3,(H,18,20).
What are the key properties of 4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide?
4-[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 4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide is sourced from PubChem (CID 109217497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).