5-(butylamino)-N-(3-methylbutyl)pyridine-2-carboxamide

C15H25N3O — CID 109180889

IUPAC5-(butylamino)-N-(3-methylbutyl)pyridine-2-carboxamide
SMILESCCCCNc1ccc(C(=O)NCCC(C)C)nc1
InChIInChI=1S/C15H25N3O/c1-4-5-9-16-13-6-7-14(18-11-13)15(19)17-10-8-12(2)3/h6-7,11-12,16H,4-5,8-10H2,1-3H3,(H,17,19)
InChIKeyUZXJXQVDAYUUOM-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.07
Rot. Bonds8

About 5-(butylamino)-N-(3-methylbutyl)pyridine-2-carboxamide

5-(butylamino)-N-(3-methylbutyl)pyridine-2-carboxamide (PubChem CID 109180889) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-(butylamino)-N-(3-methylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(butylamino)-N-(3-methylbutyl)pyridine-2-carboxamide
PubChem CID109180889
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name5-(butylamino)-N-(3-methylbutyl)pyridine-2-carboxamide
SMILESCCCCNc1ccc(C(=O)NCCC(C)C)nc1
InChIInChI=1S/C15H25N3O/c1-4-5-9-16-13-6-7-14(18-11-13)15(19)17-10-8-12(2)3/h6-7,11-12,16H,4-5,8-10H2,1-3H3,(H,17,19)
InChIKeyUZXJXQVDAYUUOM-UHFFFAOYSA-N
XLogP3.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.07
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

5-(ethylamino)-N-(5-methylhexyl)pyridine-2-carboxamide
CID 104641912
N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109183892
5-(2-methylpropylamino)-N-pentylpyridine-2-carboxamide
CID 109181275
N-butan-2-yl-5-(butylamino)pyridine-2-carboxamide
CID 109180814
5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109180928
N-(3-methylbutyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188286
N-(2-propan-2-yloxyethyl)-5-(propylamino)pyridine-2-carboxamide
CID 104765582
5-[(4-methoxyphenyl)methylamino]-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109190476
5-(butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109180924
N-octan-2-yl-5-(propylamino)pyridine-2-carboxamide
CID 104640604
N-(2,6-difluorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195715
N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195

Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)-N-(3-methylbutyl)pyridine-2-carboxamide?
The IUPAC name of 5-(butylamino)-N-(3-methylbutyl)pyridine-2-carboxamide (CID 109180889) is 5-(butylamino)-N-(3-methylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(butylamino)-N-(3-methylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(butylamino)-N-(3-methylbutyl)pyridine-2-carboxamide is CCCCNc1ccc(C(=O)NCCC(C)C)nc1.
What is the InChIKey of 5-(butylamino)-N-(3-methylbutyl)pyridine-2-carboxamide?
The InChIKey is UZXJXQVDAYUUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-5-9-16-13-6-7-14(18-11-13)15(19)17-10-8-12(2)3/h6-7,11-12,16H,4-5,8-10H2,1-3H3,(H,17,19).
What are the key properties of 5-(butylamino)-N-(3-methylbutyl)pyridine-2-carboxamide?
5-(butylamino)-N-(3-methylbutyl)pyridine-2-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)-N-(3-methylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 109180889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).