5-N-butan-2-yl-3-N-butylpyridine-3,5-dicarboxamide

C15H23N3O2 — CID 109101912

IUPAC5-N-butan-2-yl-3-N-butylpyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cncc(C(=O)NC(C)CC)c1
InChIInChI=1S/C15H23N3O2/c1-4-6-7-17-14(19)12-8-13(10-16-9-12)15(20)18-11(3)5-2/h8-11H,4-7H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyMZQKENXTMNYMKF-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.14
Rot. Bonds7

About 5-N-butan-2-yl-3-N-butylpyridine-3,5-dicarboxamide

5-N-butan-2-yl-3-N-butylpyridine-3,5-dicarboxamide (PubChem CID 109101912) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-N-butan-2-yl-3-N-butylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-butan-2-yl-3-N-butylpyridine-3,5-dicarboxamide
PubChem CID109101912
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name5-N-butan-2-yl-3-N-butylpyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cncc(C(=O)NC(C)CC)c1
InChIInChI=1S/C15H23N3O2/c1-4-6-7-17-14(19)12-8-13(10-16-9-12)15(20)18-11(3)5-2/h8-11H,4-7H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyMZQKENXTMNYMKF-UHFFFAOYSA-N
XLogP2.14
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.14
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

4-N-butan-2-yl-1-N-pentylbenzene-1,4-dicarboxamide
CID 109044091
5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 61150398
3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109101925
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
N-butan-2-yl-5-fluoropyridine-3-carboxamide
CID 115694418
5-N-butan-2-yl-3-N-cycloheptylpyridine-3,5-dicarboxamide
CID 109102356
5-methyl-N-[5-(pentan-2-ylcarbamoylamino)hexyl]pyridine-3-carboxamide
CID 90941953
N-butan-2-yl-5-(tert-butylamino)pyridine-3-carboxamide
CID 109225186
N-butan-2-yl-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109225189
N-butan-2-yl-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109225122
N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 53020757
3-N-pentyl-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101794

Frequently Asked Questions

What is the IUPAC name of 5-N-butan-2-yl-3-N-butylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-butan-2-yl-3-N-butylpyridine-3,5-dicarboxamide (CID 109101912) is 5-N-butan-2-yl-3-N-butylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-butan-2-yl-3-N-butylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-butan-2-yl-3-N-butylpyridine-3,5-dicarboxamide is CCCCNC(=O)c1cncc(C(=O)NC(C)CC)c1.
What is the InChIKey of 5-N-butan-2-yl-3-N-butylpyridine-3,5-dicarboxamide?
The InChIKey is MZQKENXTMNYMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-6-7-17-14(19)12-8-13(10-16-9-12)15(20)18-11(3)5-2/h8-11H,4-7H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 5-N-butan-2-yl-3-N-butylpyridine-3,5-dicarboxamide?
5-N-butan-2-yl-3-N-butylpyridine-3,5-dicarboxamide has a molecular weight of 277.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butan-2-yl-3-N-butylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109101912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).