N-(2-aminophenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide

C16H17N3OS — CID 69361738

IUPACN-(2-aminophenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(C2=CCNCC2)s1
InChIInChI=1S/C16H17N3OS/c17-12-3-1-2-4-13(12)19-16(20)15-6-5-14(21-15)11-7-9-18-10-8-11/h1-7,18H,8-10,17H2,(H,19,20)
InChIKeyQTTDCJXUYBDOKH-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.96
Rot. Bonds3

About N-(2-aminophenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide

N-(2-aminophenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide (PubChem CID 69361738) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide
PubChem CID69361738
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-(2-aminophenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(C2=CCNCC2)s1
InChIInChI=1S/C16H17N3OS/c17-12-3-1-2-4-13(12)19-16(20)15-6-5-14(21-15)11-7-9-18-10-8-11/h1-7,18H,8-10,17H2,(H,19,20)
InChIKeyQTTDCJXUYBDOKH-UHFFFAOYSA-N
XLogP2.96
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide (CID 69361738) is N-(2-aminophenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide is Nc1ccccc1NC(=O)c1ccc(C2=CCNCC2)s1.
What is the InChIKey of N-(2-aminophenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide?
The InChIKey is QTTDCJXUYBDOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c17-12-3-1-2-4-13(12)19-16(20)15-6-5-14(21-15)11-7-9-18-10-8-11/h1-7,18H,8-10,17H2,(H,19,20).
What are the key properties of N-(2-aminophenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide?
N-(2-aminophenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 69361738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).