2-amino-6-[(2-cyanophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C16H16N4OS — CID 98659170

IUPAC2-amino-6-[(2-cyanophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESN#Cc1ccccc1CN1CCc2c(sc(N)c2C(N)=O)C1
InChIInChI=1S/C16H16N4OS/c17-7-10-3-1-2-4-11(10)8-20-6-5-12-13(9-20)22-16(19)14(12)15(18)21/h1-4H,5-6,8-9,19H2,(H2,18,21)
InChIKeySECXYTGKPDAMLU-UHFFFAOYSA-N
MW312.40 g/mol
LogP1.86
Rot. Bonds3

About 2-amino-6-[(2-cyanophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

2-amino-6-[(2-cyanophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 98659170) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 2-amino-6-[(2-cyanophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-[(2-cyanophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID98659170
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name2-amino-6-[(2-cyanophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESN#Cc1ccccc1CN1CCc2c(sc(N)c2C(N)=O)C1
InChIInChI=1S/C16H16N4OS/c17-7-10-3-1-2-4-11(10)8-20-6-5-12-13(9-20)22-16(19)14(12)15(18)21/h1-4H,5-6,8-9,19H2,(H2,18,21)
InChIKeySECXYTGKPDAMLU-UHFFFAOYSA-N
XLogP1.86
TPSA96.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

(2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-thiophen-2-ylmethanone
CID 10155112
2-[(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzonitrile
CID 114523963
(2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-phenylmethanone
CID 65354949
2-acetamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4136200
2-(aziridin-1-ylmethyl)benzonitrile
CID 102051024
1-[2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone
CID 65354678
6-benzyl-2-(2,2-dimethylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5103350
2-[(2-cyanophenyl)methyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 82163978
2-benzamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16798225
2-amino-6-(thiophene-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 98659185
2-amino-6-[2-(2-methylpropylamino)-2-oxoethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 98659160
6-benzyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride
CID 53313256

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(2-cyanophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-[(2-cyanophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 98659170) is 2-amino-6-[(2-cyanophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-[(2-cyanophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-[(2-cyanophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is N#Cc1ccccc1CN1CCc2c(sc(N)c2C(N)=O)C1.
What is the InChIKey of 2-amino-6-[(2-cyanophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is SECXYTGKPDAMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c17-7-10-3-1-2-4-11(10)8-20-6-5-12-13(9-20)22-16(19)14(12)15(18)21/h1-4H,5-6,8-9,19H2,(H2,18,21).
What are the key properties of 2-amino-6-[(2-cyanophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
2-amino-6-[(2-cyanophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(2-cyanophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 98659170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).