N-[[4-(aminomethyl)phenyl]methyl]-4-oxo-5H-thieno[3,2-c]pyridine-3-carboxamide

C16H15N3O2S — CID 73426028

IUPACN-[[4-(aminomethyl)phenyl]methyl]-4-oxo-5H-thieno[3,2-c]pyridine-3-carboxamide
SMILESNCc1ccc(CNC(=O)c2csc3cc[nH]c(=O)c23)cc1
InChIInChI=1S/C16H15N3O2S/c17-7-10-1-3-11(4-2-10)8-19-15(20)12-9-22-13-5-6-18-16(21)14(12)13/h1-6,9H,7-8,17H2,(H,18,21)(H,19,20)
InChIKeyURLPWHNEYNFKSW-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.98
Rot. Bonds4

About N-[[4-(aminomethyl)phenyl]methyl]-4-oxo-5H-thieno[3,2-c]pyridine-3-carboxamide

N-[[4-(aminomethyl)phenyl]methyl]-4-oxo-5H-thieno[3,2-c]pyridine-3-carboxamide (PubChem CID 73426028) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-4-oxo-5H-thieno[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-4-oxo-5H-thieno[3,2-c]pyridine-3-carboxamide
PubChem CID73426028
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-4-oxo-5H-thieno[3,2-c]pyridine-3-carboxamide
SMILESNCc1ccc(CNC(=O)c2csc3cc[nH]c(=O)c23)cc1
InChIInChI=1S/C16H15N3O2S/c17-7-10-1-3-11(4-2-10)8-19-15(20)12-9-22-13-5-6-18-16(21)14(12)13/h1-6,9H,7-8,17H2,(H,18,21)(H,19,20)
InChIKeyURLPWHNEYNFKSW-UHFFFAOYSA-N
XLogP1.98
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(2-aminoethylamino)methyl]phenyl]methyl]-4-oxo-5H-thieno[3,2-c]pyridine-3-carboxamide
CID 73426029
N-[[4-[(5-aminopentylamino)methyl]phenyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide
CID 155510607
4-oxo-N-(pyridin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-5-carboxamide
CID 73334355
4-oxo-N-[[4-(propylaminomethyl)phenyl]methyl]-3H-thieno[2,3-d]pyrimidine-5-carboxamide
CID 73334470
N-[(4-fluorophenyl)methyl]-1-benzothiophene-3-carboxamide
CID 17173127
N-[[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide
CID 73334686
N-[[4-(aminomethyl)phenyl]methyl]-5-iodothiophene-3-carboxamide
CID 81090858
N-[[4-(aminomethyl)phenyl]methyl]-2-(1-benzothiophen-3-yl)quinoline-4-carboxamide
CID 18729967
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide
CID 81090221
N-[[4-(aminomethyl)phenyl]methyl]-2-methylfuran-3-carboxamide
CID 54936543
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229542
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107674361

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-4-oxo-5H-thieno[3,2-c]pyridine-3-carboxamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-4-oxo-5H-thieno[3,2-c]pyridine-3-carboxamide (CID 73426028) is N-[[4-(aminomethyl)phenyl]methyl]-4-oxo-5H-thieno[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-4-oxo-5H-thieno[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-4-oxo-5H-thieno[3,2-c]pyridine-3-carboxamide is NCc1ccc(CNC(=O)c2csc3cc[nH]c(=O)c23)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-4-oxo-5H-thieno[3,2-c]pyridine-3-carboxamide?
The InChIKey is URLPWHNEYNFKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c17-7-10-1-3-11(4-2-10)8-19-15(20)12-9-22-13-5-6-18-16(21)14(12)13/h1-6,9H,7-8,17H2,(H,18,21)(H,19,20).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-4-oxo-5H-thieno[3,2-c]pyridine-3-carboxamide?
N-[[4-(aminomethyl)phenyl]methyl]-4-oxo-5H-thieno[3,2-c]pyridine-3-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-4-oxo-5H-thieno[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 73426028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).