N-[(3-aminophenyl)methyl]-5-(6-amino-2-pyridinyl)thiophene-2-carboxamide

C17H16N4OS — CID 59849628

IUPACN-[(3-aminophenyl)methyl]-5-(6-amino-2-pyridinyl)thiophene-2-carboxamide
SMILESNc1cccc(CNC(=O)c2ccc(-c3cccc(N)n3)s2)c1
InChIInChI=1S/C17H16N4OS/c18-12-4-1-3-11(9-12)10-20-17(22)15-8-7-14(23-15)13-5-2-6-16(19)21-13/h1-9H,10,18H2,(H2,19,21)(H,20,22)
InChIKeyONYKQTSQQMBWMK-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.90
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-5-(6-amino-2-pyridinyl)thiophene-2-carboxamide

N-[(3-aminophenyl)methyl]-5-(6-amino-2-pyridinyl)thiophene-2-carboxamide (PubChem CID 59849628) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-5-(6-amino-2-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-5-(6-amino-2-pyridinyl)thiophene-2-carboxamide
PubChem CID59849628
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-[(3-aminophenyl)methyl]-5-(6-amino-2-pyridinyl)thiophene-2-carboxamide
SMILESNc1cccc(CNC(=O)c2ccc(-c3cccc(N)n3)s2)c1
InChIInChI=1S/C17H16N4OS/c18-12-4-1-3-11(9-12)10-20-17(22)15-8-7-14(23-15)13-5-2-6-16(19)21-13/h1-9H,10,18H2,(H2,19,21)(H,20,22)
InChIKeyONYKQTSQQMBWMK-UHFFFAOYSA-N
XLogP2.90
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminophenyl)methyl]-5-ethylthiophene-2-carboxamide
CID 55083965
5-(6-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 11645815
N-[(3-carbamoylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 123882296
N-[(3-bromophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11610434
N-[(3-carbamoylphenyl)methyl]-5-(3,5-dichlorophenyl)thiophene-2-carboxamide
CID 52680419
2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107210221
N-[(3-aminophenyl)methyl]-4-fluorobenzamide
CID 55083550
N-[(3-aminophenyl)methyl]-3,5-dichlorobenzamide
CID 62499613
6-amino-N-benzylpyridine-2-carboxamide
CID 62240949
5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 9165422
N-[(3-aminophenyl)methyl]-3-bromopyridine-2-carboxamide
CID 107516900
N-[(3-aminophenyl)methyl]-2-oxoacetamide
CID 89088482

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-5-(6-amino-2-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-5-(6-amino-2-pyridinyl)thiophene-2-carboxamide (CID 59849628) is N-[(3-aminophenyl)methyl]-5-(6-amino-2-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-5-(6-amino-2-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-5-(6-amino-2-pyridinyl)thiophene-2-carboxamide is Nc1cccc(CNC(=O)c2ccc(-c3cccc(N)n3)s2)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-5-(6-amino-2-pyridinyl)thiophene-2-carboxamide?
The InChIKey is ONYKQTSQQMBWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c18-12-4-1-3-11(9-12)10-20-17(22)15-8-7-14(23-15)13-5-2-6-16(19)21-13/h1-9H,10,18H2,(H2,19,21)(H,20,22).
What are the key properties of N-[(3-aminophenyl)methyl]-5-(6-amino-2-pyridinyl)thiophene-2-carboxamide?
N-[(3-aminophenyl)methyl]-5-(6-amino-2-pyridinyl)thiophene-2-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-5-(6-amino-2-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 59849628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).