5-(butylamino)-N-propylpyridine-3-carboxamide

C13H21N3O — CID 109222762

IUPAC5-(butylamino)-N-propylpyridine-3-carboxamide
SMILESCCCCNc1cncc(C(=O)NCCC)c1
InChIInChI=1S/C13H21N3O/c1-3-5-7-15-12-8-11(9-14-10-12)13(17)16-6-4-2/h8-10,15H,3-7H2,1-2H3,(H,16,17)
InChIKeyWFMOGARJTPPXDW-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.43
Rot. Bonds7

About 5-(butylamino)-N-propylpyridine-3-carboxamide

5-(butylamino)-N-propylpyridine-3-carboxamide (PubChem CID 109222762) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(butylamino)-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(butylamino)-N-propylpyridine-3-carboxamide
PubChem CID109222762
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-(butylamino)-N-propylpyridine-3-carboxamide
SMILESCCCCNc1cncc(C(=O)NCCC)c1
InChIInChI=1S/C13H21N3O/c1-3-5-7-15-12-8-11(9-14-10-12)13(17)16-6-4-2/h8-10,15H,3-7H2,1-2H3,(H,16,17)
InChIKeyWFMOGARJTPPXDW-UHFFFAOYSA-N
XLogP2.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.43
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

N-(3-methoxypropyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109228070
N-(2-methoxyethyl)-5-(propylamino)pyridine-3-carboxamide
CID 109222970
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
5-(butylamino)-N,N-dipropylpyridine-3-carboxamide
CID 109224616
5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 109224617
N-butyl-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109224364
5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109224645
5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109222786
5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide
CID 109222873
5-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109224564
5-(cyclopropylamino)-N-propylpyridine-3-carboxamide
CID 109222760
5-(2-fluoroanilino)-N-propylpyridine-3-carboxamide
CID 109222874

Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)-N-propylpyridine-3-carboxamide?
The IUPAC name of 5-(butylamino)-N-propylpyridine-3-carboxamide (CID 109222762) is 5-(butylamino)-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 5-(butylamino)-N-propylpyridine-3-carboxamide?
The canonical SMILES for 5-(butylamino)-N-propylpyridine-3-carboxamide is CCCCNc1cncc(C(=O)NCCC)c1.
What is the InChIKey of 5-(butylamino)-N-propylpyridine-3-carboxamide?
The InChIKey is WFMOGARJTPPXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-5-7-15-12-8-11(9-14-10-12)13(17)16-6-4-2/h8-10,15H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 5-(butylamino)-N-propylpyridine-3-carboxamide?
5-(butylamino)-N-propylpyridine-3-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 109222762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).