3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylpropanamide

C17H17N3OS — CID 18450711

IUPAC3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylpropanamide
SMILESCNC(=O)CCc1cnc(N)c2c(-c3ccccc3)csc12
InChIInChI=1S/C17H17N3OS/c1-19-14(21)8-7-12-9-20-17(18)15-13(10-22-16(12)15)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H2,18,20)(H,19,21)
InChIKeyMBKJEUHLGPAUPE-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.22
Rot. Bonds4

About 3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylpropanamide

3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylpropanamide (PubChem CID 18450711) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylpropanamide
PubChem CID18450711
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylpropanamide
SMILESCNC(=O)CCc1cnc(N)c2c(-c3ccccc3)csc12
InChIInChI=1S/C17H17N3OS/c1-19-14(21)8-7-12-9-20-17(18)15-13(10-22-16(12)15)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H2,18,20)(H,19,21)
InChIKeyMBKJEUHLGPAUPE-UHFFFAOYSA-N
XLogP3.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-amino-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridin-7-yl]-N-methylpropanamide
CID 18450695
(E)-3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide
CID 18450643
7-[3-(dimethylamino)prop-1-enyl]-3-phenylthieno[3,2-c]pyridin-4-amine
CID 141322409
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
1-[4-[4-amino-7-[3-(diethylamino)propyl]thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea
CID 18451166
(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 141110480
7-(3-methylsulfonylphenyl)-3-phenylthieno[3,2-c]pyridin-4-amine
CID 141322450
2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-methylacetamide
CID 3332160
7-[3-(diethylamino)prop-1-enyl]-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
CID 68678857
(E)-3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal
CID 18450607
3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal
CID 73446371
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylpropanamide?
The IUPAC name of 3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylpropanamide (CID 18450711) is 3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylpropanamide?
The canonical SMILES for 3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylpropanamide is CNC(=O)CCc1cnc(N)c2c(-c3ccccc3)csc12.
What is the InChIKey of 3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylpropanamide?
The InChIKey is MBKJEUHLGPAUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-19-14(21)8-7-12-9-20-17(18)15-13(10-22-16(12)15)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of 3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylpropanamide?
3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylpropanamide has a molecular weight of 311.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylpropanamide is sourced from PubChem (CID 18450711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).