3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide

C16H15N3OS — CID 175026342

IUPAC3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide
SMILESNCC(C(=O)Nc1cc2ccncc2s1)c1ccccc1
InChIInChI=1S/C16H15N3OS/c17-9-13(11-4-2-1-3-5-11)16(20)19-15-8-12-6-7-18-10-14(12)21-15/h1-8,10,13H,9,17H2,(H,19,20)
InChIKeyZEDBNOPJQFLGIR-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.98
Rot. Bonds4

About 3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide

3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide (PubChem CID 175026342) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide
PubChem CID175026342
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide
SMILESNCC(C(=O)Nc1cc2ccncc2s1)c1ccccc1
InChIInChI=1S/C16H15N3OS/c17-9-13(11-4-2-1-3-5-11)16(20)19-15-8-12-6-7-18-10-14(12)21-15/h1-8,10,13H,9,17H2,(H,19,20)
InChIKeyZEDBNOPJQFLGIR-UHFFFAOYSA-N
XLogP2.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide;nitric acid
CID 175026341
[4-[3-amino-1-oxo-1-(thieno[2,3-c]pyridin-2-ylamino)propan-2-yl]phenyl]methyl nitrate
CID 166791622
[(2S)-2-[4-(hydroxymethyl)phenyl]-3-oxo-3-(thieno[2,3-c]pyridin-2-ylamino)propyl] carbamate
CID 175129560
[4-[(2S)-3-amino-1-oxo-1-(thieno[2,3-c]pyridin-2-ylamino)propan-2-yl]phenyl]methyl 3,3-dimethoxycyclobutane-1-carboxylate
CID 167701567
[4-[(2S)-3-amino-1-oxo-1-(thieno[2,3-c]pyridin-2-ylamino)propan-2-yl]phenyl]methyl 5-nitrooxypentanoate
CID 162346490
[4-[(2S)-3-amino-1-oxo-1-(thieno[2,3-c]pyridin-2-ylamino)propan-2-yl]phenyl]methyl 6-nitrooxyhexanoate
CID 166005062
[4-[(2S)-3-amino-1-oxo-1-(thieno[2,3-c]pyridin-2-ylamino)propan-2-yl]phenyl]methyl (3S)-3-nitrooxycyclobutene-1-carboxylate
CID 166791646
3-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-phenylpropanamide
CID 62878158
benzyl 4-[(2S)-3-amino-1-oxo-1-(thieno[2,3-c]pyridin-2-ylamino)propan-2-yl]-3-(2-nitrooxyethyl)benzoate
CID 175023713
[2-[4-(1,3-dinitrooxypropan-2-yloxy)phenyl]-3-oxo-3-(thieno[2,3-c]pyridin-2-ylamino)propyl]carbamic acid
CID 166791612
[4-[(2S)-3-(dimethylamino)-1-oxo-1-(thieno[2,3-c]pyridin-2-ylamino)propan-2-yl]phenyl]methyl 2-ethyl-2-methylbutanoate
CID 167622184
3-amino-N-isoquinolin-6-yl-2-phenylpropanamide;N-isoquinolin-6-yl-2-phenyl-3-(propan-2-ylamino)propanamide;propan-2-one
CID 157431706

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide?
The IUPAC name of 3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide (CID 175026342) is 3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide.
What is the SMILES notation for 3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide?
The canonical SMILES for 3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide is NCC(C(=O)Nc1cc2ccncc2s1)c1ccccc1.
What is the InChIKey of 3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide?
The InChIKey is ZEDBNOPJQFLGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c17-9-13(11-4-2-1-3-5-11)16(20)19-15-8-12-6-7-18-10-14(12)21-15/h1-8,10,13H,9,17H2,(H,19,20).
What are the key properties of 3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide?
3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide has a molecular weight of 297.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide is sourced from PubChem (CID 175026342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).