N-hexyl-2-methylpyridine-3-carboxamide

C13H20N2O — CID 67377746

IUPACN-hexyl-2-methylpyridine-3-carboxamide
SMILESCCCCCCNC(=O)c1cccnc1C
InChIInChI=1S/C13H20N2O/c1-3-4-5-6-9-15-13(16)12-8-7-10-14-11(12)2/h7-8,10H,3-6,9H2,1-2H3,(H,15,16)
InChIKeySODIKTOKMRJYEZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.70
Rot. Bonds6

About N-hexyl-2-methylpyridine-3-carboxamide

N-hexyl-2-methylpyridine-3-carboxamide (PubChem CID 67377746) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-hexyl-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-hexyl-2-methylpyridine-3-carboxamide
PubChem CID67377746
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-hexyl-2-methylpyridine-3-carboxamide
SMILESCCCCCCNC(=O)c1cccnc1C
InChIInChI=1S/C13H20N2O/c1-3-4-5-6-9-15-13(16)12-8-7-10-14-11(12)2/h7-8,10H,3-6,9H2,1-2H3,(H,15,16)
InChIKeySODIKTOKMRJYEZ-UHFFFAOYSA-N
XLogP2.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate
CID 78951048
2-(pentylcarbamoyl)pyridine-3-carboxylic acid
CID 63614748
N-(4-azidobutyl)-2-methylpyridine-3-carboxamide
CID 106386346
N-hexyl-2-methylbenzamide
CID 3017102
2-methyl-5-[(2-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 113440647
N-hexyl-2-phenylsulfanylpyridine-3-carboxamide
CID 32647200
methyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate
CID 78950792
N-decyl-2-fluoro-3-methylbenzamide
CID 81479719
2,3-dimethyl-N-octadecylbenzamide
CID 174462915
1-(2-methyl-3-pyridinyl)hexan-1-one
CID 105087719
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2-chloro-N-undecylbenzamide
CID 3373978

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-methylpyridine-3-carboxamide?
The IUPAC name of N-hexyl-2-methylpyridine-3-carboxamide (CID 67377746) is N-hexyl-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-hexyl-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-hexyl-2-methylpyridine-3-carboxamide is CCCCCCNC(=O)c1cccnc1C.
What is the InChIKey of N-hexyl-2-methylpyridine-3-carboxamide?
The InChIKey is SODIKTOKMRJYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-4-5-6-9-15-13(16)12-8-7-10-14-11(12)2/h7-8,10H,3-6,9H2,1-2H3,(H,15,16).
What are the key properties of N-hexyl-2-methylpyridine-3-carboxamide?
N-hexyl-2-methylpyridine-3-carboxamide has a molecular weight of 220.32 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 67377746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).