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

C16H16N4O4S — CID 175026341

IUPAC3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide;nitric acid
SMILESNCC(C(=O)Nc1cc2ccncc2s1)c1ccccc1.O=[N+]([O-])O
InChIInChI=1S/C16H15N3OS.HNO3/c17-9-13(11-4-2-1-3-5-11)16(20)19-15-8-12-6-7-18-10-14(12)21-15;2-1(3)4/h1-8,10,13H,9,17H2,(H,19,20);(H,2,3,4)
InChIKeyFYFHIAQGVMIDRW-UHFFFAOYSA-N
MW360.40 g/mol
LogP2.63
Rot. Bonds4

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

3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide;nitric acid (PubChem CID 175026341) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is 3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide;nitric acid.

Molecular Properties

Compound Name3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide;nitric acid
PubChem CID175026341
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC Name3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide;nitric acid
SMILESNCC(C(=O)Nc1cc2ccncc2s1)c1ccccc1.O=[N+]([O-])O
InChIInChI=1S/C16H15N3OS.HNO3/c17-9-13(11-4-2-1-3-5-11)16(20)19-15-8-12-6-7-18-10-14(12)21-15;2-1(3)4/h1-8,10,13H,9,17H2,(H,19,20);(H,2,3,4)
InChIKeyFYFHIAQGVMIDRW-UHFFFAOYSA-N
XLogP2.63
TPSA131.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide
CID 175026342
[4-[3-amino-1-oxo-1-(thieno[2,3-c]pyridin-2-ylamino)propan-2-yl]phenyl]methyl nitrate
CID 166791622
[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
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
[(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
3-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-phenylpropanamide
CID 62878158
[4-[2-oxo-2-(thieno[2,3-c]pyridin-2-ylamino)ethyl]phenyl]methyl nitrate
CID 166810805
benzyl (4S,5S,6S)-5-(aminomethyl)-6-hydroxy-4-(2-nitrooxyethyl)-6-(thieno[2,3-c]pyridin-2-ylamino)hexanoate
CID 162390438

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide;nitric acid?
The IUPAC name of 3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide;nitric acid (CID 175026341) is 3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide;nitric acid.
What is the SMILES notation for 3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide;nitric acid?
The canonical SMILES for 3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide;nitric acid is NCC(C(=O)Nc1cc2ccncc2s1)c1ccccc1.O=[N+]([O-])O.
What is the InChIKey of 3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide;nitric acid?
The InChIKey is FYFHIAQGVMIDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS.HNO3/c17-9-13(11-4-2-1-3-5-11)16(20)19-15-8-12-6-7-18-10-14(12)21-15;2-1(3)4/h1-8,10,13H,9,17H2,(H,19,20);(H,2,3,4).
What are the key properties of 3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide;nitric acid?
3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide;nitric acid has a molecular weight of 360.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide;nitric acid is sourced from PubChem (CID 175026341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).