N-[4-oxo-4-(pyridin-3-ylmethylamino)butyl]furan-2-carboxamide

C15H17N3O3 — CID 35511874

IUPACN-[4-oxo-4-(pyridin-3-ylmethylamino)butyl]furan-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccco1)NCc1cccnc1
InChIInChI=1S/C15H17N3O3/c19-14(18-11-12-4-1-7-16-10-12)6-2-8-17-15(20)13-5-3-9-21-13/h1,3-5,7,9-10H,2,6,8,11H2,(H,17,20)(H,18,19)
InChIKeyBGENWAQMSFSBKW-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.50
Rot. Bonds7

About N-[4-oxo-4-(pyridin-3-ylmethylamino)butyl]furan-2-carboxamide

N-[4-oxo-4-(pyridin-3-ylmethylamino)butyl]furan-2-carboxamide (PubChem CID 35511874) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[4-oxo-4-(pyridin-3-ylmethylamino)butyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-oxo-4-(pyridin-3-ylmethylamino)butyl]furan-2-carboxamide
PubChem CID35511874
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[4-oxo-4-(pyridin-3-ylmethylamino)butyl]furan-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccco1)NCc1cccnc1
InChIInChI=1S/C15H17N3O3/c19-14(18-11-12-4-1-7-16-10-12)6-2-8-17-15(20)13-5-3-9-21-13/h1,3-5,7,9-10H,2,6,8,11H2,(H,17,20)(H,18,19)
InChIKeyBGENWAQMSFSBKW-UHFFFAOYSA-N
XLogP1.50
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.50
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-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide
CID 134045130
N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]furan-2-carboxamide
CID 44995255
N-[3-[4-[3-[[4-oxo-4-(pyridin-3-ylmethylamino)butanoyl]amino]propylamino]butylamino]propyl]-N'-(pyridin-3-ylmethyl)butanediamide
CID 164614008
N-[4-oxo-4-[(3-phenylmethoxyphenyl)methylamino]butyl]furan-2-carboxamide
CID 55845508
N-[4-oxo-4-[(3-sulfamoylphenyl)methylamino]butyl]furan-2-carboxamide
CID 32563567
N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(pyridin-3-ylmethyl)butanediamide
CID 1139136
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[4-[(8-chloroquinolin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide
CID 25335910
N-[4-[[2-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]furan-2-carboxamide
CID 32603356
(2S)-3-[4-(furan-2-carbonylamino)butanoylamino]-2-hydroxypropanoic acid
CID 107833216
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-(pyridin-3-ylmethylamino)butyl]furan-2-carboxamide?
The IUPAC name of N-[4-oxo-4-(pyridin-3-ylmethylamino)butyl]furan-2-carboxamide (CID 35511874) is N-[4-oxo-4-(pyridin-3-ylmethylamino)butyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-oxo-4-(pyridin-3-ylmethylamino)butyl]furan-2-carboxamide?
The canonical SMILES for N-[4-oxo-4-(pyridin-3-ylmethylamino)butyl]furan-2-carboxamide is O=C(CCCNC(=O)c1ccco1)NCc1cccnc1.
What is the InChIKey of N-[4-oxo-4-(pyridin-3-ylmethylamino)butyl]furan-2-carboxamide?
The InChIKey is BGENWAQMSFSBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-14(18-11-12-4-1-7-16-10-12)6-2-8-17-15(20)13-5-3-9-21-13/h1,3-5,7,9-10H,2,6,8,11H2,(H,17,20)(H,18,19).
What are the key properties of N-[4-oxo-4-(pyridin-3-ylmethylamino)butyl]furan-2-carboxamide?
N-[4-oxo-4-(pyridin-3-ylmethylamino)butyl]furan-2-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(pyridin-3-ylmethylamino)butyl]furan-2-carboxamide is sourced from PubChem (CID 35511874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).