N-butyl-5-(1,2-dihydropyridin-5-yl)pyridine-3-carboxamide

C15H19N3O — CID 143120443

IUPACN-butyl-5-(1,2-dihydropyridin-5-yl)pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(C2=CNCC=C2)c1
InChIInChI=1S/C15H19N3O/c1-2-3-7-18-15(19)14-8-13(10-17-11-14)12-5-4-6-16-9-12/h4-5,8-11,16H,2-3,6-7H2,1H3,(H,18,19)
InChIKeyHCPGPSDUKFEOLF-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.11
Rot. Bonds5

About N-butyl-5-(1,2-dihydropyridin-5-yl)pyridine-3-carboxamide

N-butyl-5-(1,2-dihydropyridin-5-yl)pyridine-3-carboxamide (PubChem CID 143120443) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-butyl-5-(1,2-dihydropyridin-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(1,2-dihydropyridin-5-yl)pyridine-3-carboxamide
PubChem CID143120443
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-butyl-5-(1,2-dihydropyridin-5-yl)pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(C2=CNCC=C2)c1
InChIInChI=1S/C15H19N3O/c1-2-3-7-18-15(19)14-8-13(10-17-11-14)12-5-4-6-16-9-12/h4-5,8-11,16H,2-3,6-7H2,1H3,(H,18,19)
InChIKeyHCPGPSDUKFEOLF-UHFFFAOYSA-N
XLogP2.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.11
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-butyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 53020757
5-N-butan-2-yl-3-N-butylpyridine-3,5-dicarboxamide
CID 109101912
3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109101925
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
5-(butylamino)-N-propylpyridine-3-carboxamide
CID 109222762
5-N-cyclopentyl-3-N-pentylpyridine-3,5-dicarboxamide
CID 109102730
3-N-pentyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109107218
3-N-pentyl-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101794
5-N-(4-bromophenyl)-3-N-butylpyridine-3,5-dicarboxamide
CID 109102031
5-(N-benzylanilino)-N-butylpyridine-3-carboxamide
CID 109224497
5-bromo-N-(3-propoxypropyl)pyridine-3-carboxamide
CID 82944503
3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109102007

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(1,2-dihydropyridin-5-yl)pyridine-3-carboxamide?
The IUPAC name of N-butyl-5-(1,2-dihydropyridin-5-yl)pyridine-3-carboxamide (CID 143120443) is N-butyl-5-(1,2-dihydropyridin-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-5-(1,2-dihydropyridin-5-yl)pyridine-3-carboxamide?
The canonical SMILES for N-butyl-5-(1,2-dihydropyridin-5-yl)pyridine-3-carboxamide is CCCCNC(=O)c1cncc(C2=CNCC=C2)c1.
What is the InChIKey of N-butyl-5-(1,2-dihydropyridin-5-yl)pyridine-3-carboxamide?
The InChIKey is HCPGPSDUKFEOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-3-7-18-15(19)14-8-13(10-17-11-14)12-5-4-6-16-9-12/h4-5,8-11,16H,2-3,6-7H2,1H3,(H,18,19).
What are the key properties of N-butyl-5-(1,2-dihydropyridin-5-yl)pyridine-3-carboxamide?
N-butyl-5-(1,2-dihydropyridin-5-yl)pyridine-3-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(1,2-dihydropyridin-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 143120443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).