N-butyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide

C15H19N3O2 — CID 109180640

IUPACN-butyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
SMILESCCCCNC(=O)c1ccc(NCc2ccco2)cn1
InChIInChI=1S/C15H19N3O2/c1-2-3-8-16-15(19)14-7-6-12(10-18-14)17-11-13-5-4-9-20-13/h4-7,9-10,17H,2-3,8,11H2,1H3,(H,16,19)
InChIKeyDJEKIBMZXNCSFU-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.82
Rot. Bonds7

About N-butyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide

N-butyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109180640) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-butyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
PubChem CID109180640
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-butyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
SMILESCCCCNC(=O)c1ccc(NCc2ccco2)cn1
InChIInChI=1S/C15H19N3O2/c1-2-3-8-16-15(19)14-7-6-12(10-18-14)17-11-13-5-4-9-20-13/h4-7,9-10,17H,2-3,8,11H2,1H3,(H,16,19)
InChIKeyDJEKIBMZXNCSFU-UHFFFAOYSA-N
XLogP2.82
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248063
N-[2-(furan-2-yl)ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 113436120
5-[(4-chlorophenyl)methylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187489
N-cyclohexyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109182916
N-butyl-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109361756
N-(3,4-dichlorophenyl)-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109187803
ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109187796
5-[2-(2-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187499
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]pentanamide
CID 113026234
4-(furan-2-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206035
5-(2-ethylanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187557
N-[3-(dimethylamino)propyl]-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109207723

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-butyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide (CID 109180640) is N-butyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-butyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide is CCCCNC(=O)c1ccc(NCc2ccco2)cn1.
What is the InChIKey of N-butyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is DJEKIBMZXNCSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-3-8-16-15(19)14-7-6-12(10-18-14)17-11-13-5-4-9-20-13/h4-7,9-10,17H,2-3,8,11H2,1H3,(H,16,19).
What are the key properties of N-butyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide?
N-butyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109180640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).