N-[4-oxo-4-[(2-pyrazol-1-yl-3-pyridinyl)amino]butyl]thiophene-2-carboxamide

C17H17N5O2S — CID 30885035

IUPACN-[4-oxo-4-[(2-pyrazol-1-yl-3-pyridinyl)amino]butyl]thiophene-2-carboxamide
SMILESO=C(CCCNC(=O)c1cccs1)Nc1cccnc1-n1cccn1
InChIInChI=1S/C17H17N5O2S/c23-15(7-2-9-19-17(24)14-6-3-12-25-14)21-13-5-1-8-18-16(13)22-11-4-10-20-22/h1,3-6,8,10-12H,2,7,9H2,(H,19,24)(H,21,23)
InChIKeyQEHOAPCHDOSHSI-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.48
Rot. Bonds7

About N-[4-oxo-4-[(2-pyrazol-1-yl-3-pyridinyl)amino]butyl]thiophene-2-carboxamide

N-[4-oxo-4-[(2-pyrazol-1-yl-3-pyridinyl)amino]butyl]thiophene-2-carboxamide (PubChem CID 30885035) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[4-oxo-4-[(2-pyrazol-1-yl-3-pyridinyl)amino]butyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-oxo-4-[(2-pyrazol-1-yl-3-pyridinyl)amino]butyl]thiophene-2-carboxamide
PubChem CID30885035
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-[4-oxo-4-[(2-pyrazol-1-yl-3-pyridinyl)amino]butyl]thiophene-2-carboxamide
SMILESO=C(CCCNC(=O)c1cccs1)Nc1cccnc1-n1cccn1
InChIInChI=1S/C17H17N5O2S/c23-15(7-2-9-19-17(24)14-6-3-12-25-14)21-13-5-1-8-18-16(13)22-11-4-10-20-22/h1,3-6,8,10-12H,2,7,9H2,(H,19,24)(H,21,23)
InChIKeyQEHOAPCHDOSHSI-UHFFFAOYSA-N
XLogP2.48
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-oxo-4-[(2-pyrazol-1-yl-3-pyridinyl)amino]butyl]thiophene-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-[3-oxo-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]thiophene-2-carboxamide
CID 47037132
5-bromo-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 107909063
7-amino-N-(2-pyrazol-1-yl-3-pyridinyl)heptanamide
CID 43714218
N-[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 51274545
N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide
CID 51266033
methyl 2-[4-(thiophene-2-carbonylamino)butanoylamino]benzoate
CID 39753213
N-[4-[2-(azepan-1-yl)anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 24660506
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
2-phenylsulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 38749928
4-(2-methylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
CID 30887020
N-[4-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]butyl]thiophene-2-carboxamide
CID 55732338
5-(2,5-dimethylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 60584957

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-[(2-pyrazol-1-yl-3-pyridinyl)amino]butyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-oxo-4-[(2-pyrazol-1-yl-3-pyridinyl)amino]butyl]thiophene-2-carboxamide (CID 30885035) is N-[4-oxo-4-[(2-pyrazol-1-yl-3-pyridinyl)amino]butyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-oxo-4-[(2-pyrazol-1-yl-3-pyridinyl)amino]butyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-oxo-4-[(2-pyrazol-1-yl-3-pyridinyl)amino]butyl]thiophene-2-carboxamide is O=C(CCCNC(=O)c1cccs1)Nc1cccnc1-n1cccn1.
What is the InChIKey of N-[4-oxo-4-[(2-pyrazol-1-yl-3-pyridinyl)amino]butyl]thiophene-2-carboxamide?
The InChIKey is QEHOAPCHDOSHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c23-15(7-2-9-19-17(24)14-6-3-12-25-14)21-13-5-1-8-18-16(13)22-11-4-10-20-22/h1,3-6,8,10-12H,2,7,9H2,(H,19,24)(H,21,23).
What are the key properties of N-[4-oxo-4-[(2-pyrazol-1-yl-3-pyridinyl)amino]butyl]thiophene-2-carboxamide?
N-[4-oxo-4-[(2-pyrazol-1-yl-3-pyridinyl)amino]butyl]thiophene-2-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[(2-pyrazol-1-yl-3-pyridinyl)amino]butyl]thiophene-2-carboxamide is sourced from PubChem (CID 30885035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).