3-amino-N-(2-aminoethyl)-4-methyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide

C17H18N4OS — CID 102267908

IUPAC3-amino-N-(2-aminoethyl)-4-methyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(-c2ccccc2)nc2sc(C(=O)NCCN)c(N)c12
InChIInChI=1S/C17H18N4OS/c1-10-9-12(11-5-3-2-4-6-11)21-17-13(10)14(19)15(23-17)16(22)20-8-7-18/h2-6,9H,7-8,18-19H2,1H3,(H,20,22)
InChIKeyYJJYEQCCSXZOOW-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.54
Rot. Bonds4

About 3-amino-N-(2-aminoethyl)-4-methyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(2-aminoethyl)-4-methyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 102267908) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 3-amino-N-(2-aminoethyl)-4-methyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-aminoethyl)-4-methyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID102267908
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name3-amino-N-(2-aminoethyl)-4-methyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(-c2ccccc2)nc2sc(C(=O)NCCN)c(N)c12
InChIInChI=1S/C17H18N4OS/c1-10-9-12(11-5-3-2-4-6-11)21-17-13(10)14(19)15(23-17)16(22)20-8-7-18/h2-6,9H,7-8,18-19H2,1H3,(H,20,22)
InChIKeyYJJYEQCCSXZOOW-UHFFFAOYSA-N
XLogP2.54
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-aminoethyl)-4-methyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-aminoethyl)-4-methyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 102267908) is 3-amino-N-(2-aminoethyl)-4-methyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-aminoethyl)-4-methyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-aminoethyl)-4-methyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(-c2ccccc2)nc2sc(C(=O)NCCN)c(N)c12.
What is the InChIKey of 3-amino-N-(2-aminoethyl)-4-methyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is YJJYEQCCSXZOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-10-9-12(11-5-3-2-4-6-11)21-17-13(10)14(19)15(23-17)16(22)20-8-7-18/h2-6,9H,7-8,18-19H2,1H3,(H,20,22).
What are the key properties of 3-amino-N-(2-aminoethyl)-4-methyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(2-aminoethyl)-4-methyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-aminoethyl)-4-methyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 102267908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).