N-[4-fluoro-2-[4-(thiophene-3-carbonylamino)butanoylamino]phenyl]pyridine-2-carboxamide

C21H19FN4O3S — CID 55833499

IUPACN-[4-fluoro-2-[4-(thiophene-3-carbonylamino)butanoylamino]phenyl]pyridine-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccsc1)Nc1cc(F)ccc1NC(=O)c1ccccn1
InChIInChI=1S/C21H19FN4O3S/c22-15-6-7-16(26-21(29)17-4-1-2-9-23-17)18(12-15)25-19(27)5-3-10-24-20(28)14-8-11-30-13-14/h1-2,4,6-9,11-13H,3,5,10H2,(H,24,28)(H,25,27)(H,26,29)
InChIKeyGVAOBFDUSVCVBL-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.68
Rot. Bonds8

About N-[4-fluoro-2-[4-(thiophene-3-carbonylamino)butanoylamino]phenyl]pyridine-2-carboxamide

N-[4-fluoro-2-[4-(thiophene-3-carbonylamino)butanoylamino]phenyl]pyridine-2-carboxamide (PubChem CID 55833499) has the molecular formula C21H19FN4O3S and a molecular weight of 426.47 g/mol. Its IUPAC name is N-[4-fluoro-2-[4-(thiophene-3-carbonylamino)butanoylamino]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-2-[4-(thiophene-3-carbonylamino)butanoylamino]phenyl]pyridine-2-carboxamide
PubChem CID55833499
Molecular FormulaC21H19FN4O3S
Molecular Weight426.47 g/mol
Exact Mass426.12
IUPAC NameN-[4-fluoro-2-[4-(thiophene-3-carbonylamino)butanoylamino]phenyl]pyridine-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccsc1)Nc1cc(F)ccc1NC(=O)c1ccccn1
InChIInChI=1S/C21H19FN4O3S/c22-15-6-7-16(26-21(29)17-4-1-2-9-23-17)18(12-15)25-19(27)5-3-10-24-20(28)14-8-11-30-13-14/h1-2,4,6-9,11-13H,3,5,10H2,(H,24,28)(H,25,27)(H,26,29)
InChIKeyGVAOBFDUSVCVBL-UHFFFAOYSA-N
XLogP3.68
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-fluoro-2-[4-(thiophene-3-carbonylamino)butanoylamino]phenyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(7-aminoheptanoylamino)-4-fluorophenyl]pyridine-2-carboxamide;dihydrochloride
CID 119844812
N-[3-(2,4-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 17499617
N-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 18126266
N-[4-(2,6-difluoroanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 51191676
N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 30276571
N-[4-(2,5-difluoroanilino)-4-oxobutyl]benzamide
CID 39753880
N-[4-fluoro-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]phenyl]pyridine-2-carboxamide
CID 55834013
N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 27256783
N-[2-[(2,4-difluorobenzoyl)amino]-4-fluorophenyl]pyridine-2-carboxamide
CID 55834647
N-[4-(5-chloro-2-phenoxyanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 55375845
N-[4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 30300204
N-[4-oxo-4-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]butyl]thiophene-3-carboxamide
CID 26725781

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-[4-(thiophene-3-carbonylamino)butanoylamino]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-fluoro-2-[4-(thiophene-3-carbonylamino)butanoylamino]phenyl]pyridine-2-carboxamide (CID 55833499) is N-[4-fluoro-2-[4-(thiophene-3-carbonylamino)butanoylamino]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-fluoro-2-[4-(thiophene-3-carbonylamino)butanoylamino]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-fluoro-2-[4-(thiophene-3-carbonylamino)butanoylamino]phenyl]pyridine-2-carboxamide is O=C(CCCNC(=O)c1ccsc1)Nc1cc(F)ccc1NC(=O)c1ccccn1.
What is the InChIKey of N-[4-fluoro-2-[4-(thiophene-3-carbonylamino)butanoylamino]phenyl]pyridine-2-carboxamide?
The InChIKey is GVAOBFDUSVCVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3S/c22-15-6-7-16(26-21(29)17-4-1-2-9-23-17)18(12-15)25-19(27)5-3-10-24-20(28)14-8-11-30-13-14/h1-2,4,6-9,11-13H,3,5,10H2,(H,24,28)(H,25,27)(H,26,29).
What are the key properties of N-[4-fluoro-2-[4-(thiophene-3-carbonylamino)butanoylamino]phenyl]pyridine-2-carboxamide?
N-[4-fluoro-2-[4-(thiophene-3-carbonylamino)butanoylamino]phenyl]pyridine-2-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 3.68, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-[4-(thiophene-3-carbonylamino)butanoylamino]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 55833499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).