3-amino-N-(2-methylphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

C18H19N3OS — CID 23832639

IUPAC3-amino-N-(2-methylphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccccc1NC(=O)c1sc2nc(C(C)C)ccc2c1N
InChIInChI=1S/C18H19N3OS/c1-10(2)13-9-8-12-15(19)16(23-18(12)21-13)17(22)20-14-7-5-4-6-11(14)3/h4-10H,19H2,1-3H3,(H,20,22)
InChIKeyRBBAKMQTIPVCSQ-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.56
Rot. Bonds3

About 3-amino-N-(2-methylphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(2-methylphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23832639) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 3-amino-N-(2-methylphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methylphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID23832639
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name3-amino-N-(2-methylphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccccc1NC(=O)c1sc2nc(C(C)C)ccc2c1N
InChIInChI=1S/C18H19N3OS/c1-10(2)13-9-8-12-15(19)16(23-18(12)21-13)17(22)20-14-7-5-4-6-11(14)3/h4-10H,19H2,1-3H3,(H,20,22)
InChIKeyRBBAKMQTIPVCSQ-UHFFFAOYSA-N
XLogP4.56
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23888932
3-amino-5-(1-hydroxyethyl)-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 155808799
3-amino-N-(2,4-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23888867
3-amino-N-(3,5-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23916849
3-amino-N-cyclopropyl-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23772104
3,6-diamino-5-cyano-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 2215175
3-amino-N-(2-chloro-5-nitrophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23745625
3-amino-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23858449
3-amino-N-[(4-methylphenyl)methyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23970146
3-amino-6-(dimethoxymethyl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 2745223
ethyl 2-[(3-amino-6-propan-2-ylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 23970102
3-amino-N-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 44616017

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-methylphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 23832639) is 3-amino-N-(2-methylphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methylphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-methylphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccccc1NC(=O)c1sc2nc(C(C)C)ccc2c1N.
What is the InChIKey of 3-amino-N-(2-methylphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is RBBAKMQTIPVCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-10(2)13-9-8-12-15(19)16(23-18(12)21-13)17(22)20-14-7-5-4-6-11(14)3/h4-10H,19H2,1-3H3,(H,20,22).
What are the key properties of 3-amino-N-(2-methylphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(2-methylphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 325.44 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23832639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).