(2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxynaphthalen-1-yl)methanone

C26H24N2O2S — CID 10960941

IUPAC(2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxynaphthalen-1-yl)methanone
SMILESCOc1ccc(C(=O)c2c(N)sc3c2CCN(Cc2ccccc2)C3)c2ccccc12
InChIInChI=1S/C26H24N2O2S/c1-30-22-12-11-20(18-9-5-6-10-19(18)22)25(29)24-21-13-14-28(16-23(21)31-26(24)27)15-17-7-3-2-4-8-17/h2-12H,13-16,27H2,1H3
InChIKeyCINQYKCYGOMLQB-UHFFFAOYSA-N
MW428.56 g/mol
LogP5.28
Rot. Bonds5

About (2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxynaphthalen-1-yl)methanone

(2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxynaphthalen-1-yl)methanone (PubChem CID 10960941) has the molecular formula C26H24N2O2S and a molecular weight of 428.56 g/mol. Its IUPAC name is (2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxynaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxynaphthalen-1-yl)methanone
PubChem CID10960941
Molecular FormulaC26H24N2O2S
Molecular Weight428.56 g/mol
Exact Mass428.16
IUPAC Name(2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxynaphthalen-1-yl)methanone
SMILESCOc1ccc(C(=O)c2c(N)sc3c2CCN(Cc2ccccc2)C3)c2ccccc12
InChIInChI=1S/C26H24N2O2S/c1-30-22-12-11-20(18-9-5-6-10-19(18)22)25(29)24-21-13-14-28(16-23(21)31-26(24)27)15-17-7-3-2-4-8-17/h2-12H,13-16,27H2,1H3
InChIKeyCINQYKCYGOMLQB-UHFFFAOYSA-N
XLogP5.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl 2-amino-3-(4-methoxybenzoyl)-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate
CID 2814379
CID 16806298
CID 16806298
(2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxyphenyl)methanone
CID 2814017
(2-Amino-5,6-dihydro-4H-cyclopenta[b]thien-3-yl)(4-methoxy-1-naphthalenyl)methanone
CID 9880266
[6-amino-2-(4-methoxyphenyl)-4H-thieno[2,3-d][1,3]dithiin-5-yl]-naphthalen-1-ylmethanone
CID 10225815
(2-Amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanone
CID 10268711
6-(2-Aminoethyl)-3-[(2-methoxynaphthalen-1-yl)methyl]-5-methylthieno[2,3-d]pyrimidin-4-one
CID 137633270
2-[(3-oxobenzo[f]chromene-2-carbonyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4296521
(2-Amino-4,5-dimethylthiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanone
CID 10957909
[2-amino-6-[(2,3,4-trimethoxyphenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-naphthalen-2-ylmethanone
CID 44379674
(2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 44580335
2-[(3-Methoxy-2-naphthoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1074681

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxynaphthalen-1-yl)methanone?
The IUPAC name of (2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxynaphthalen-1-yl)methanone (CID 10960941) is (2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxynaphthalen-1-yl)methanone.
What is the SMILES notation for (2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxynaphthalen-1-yl)methanone?
The canonical SMILES for (2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxynaphthalen-1-yl)methanone is COc1ccc(C(=O)c2c(N)sc3c2CCN(Cc2ccccc2)C3)c2ccccc12.
What is the InChIKey of (2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxynaphthalen-1-yl)methanone?
The InChIKey is CINQYKCYGOMLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2S/c1-30-22-12-11-20(18-9-5-6-10-19(18)22)25(29)24-21-13-14-28(16-23(21)31-26(24)27)15-17-7-3-2-4-8-17/h2-12H,13-16,27H2,1H3.
What are the key properties of (2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxynaphthalen-1-yl)methanone?
(2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxynaphthalen-1-yl)methanone has a molecular weight of 428.56 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxynaphthalen-1-yl)methanone is sourced from PubChem (CID 10960941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).