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

C17H15N3OS — CID 18450643

IUPAC(E)-3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1cnc(N)c2c(-c3ccccc3)csc12
InChIInChI=1S/C17H15N3OS/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/h2-10H,1H3,(H2,18,20)(H,19,21)/b8-7+
InChIKeyLZZYPVDOPDMUEO-BQYQJAHWSA-N
MW309.39 g/mol
LogP3.30
Rot. Bonds3

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

(E)-3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide (PubChem CID 18450643) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is (E)-3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide
PubChem CID18450643
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name(E)-3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1cnc(N)c2c(-c3ccccc3)csc12
InChIInChI=1S/C17H15N3OS/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/h2-10H,1H3,(H2,18,20)(H,19,21)/b8-7+
InChIKeyLZZYPVDOPDMUEO-BQYQJAHWSA-N
XLogP3.30
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-amino-3-(1-benzothiophen-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide
CID 18450679
(E)-3-[4-amino-3-(1-benzofuran-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide
CID 18450678
7-[3-(dimethylamino)prop-1-enyl]-3-phenylthieno[3,2-c]pyridin-4-amine
CID 141322409
3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylpropanamide
CID 18450711
3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]-N-[(3S)-pyrrolidin-3-yl]prop-2-enamide
CID 68680347
tert-butyl 3-[3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enoylamino]pyrrolidine-1-carboxylate
CID 68679171
(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
ethyl (E)-3-[4-amino-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridin-7-yl]prop-2-enoate
CID 45139882
3-[4-amino-3-[4-[[3-(aminomethyl)phenyl]carbamoylamino]phenyl]thieno[3,2-c]pyridin-7-yl]-N-(2-hydroxyethyl)prop-2-enamide
CID 174495247
tert-butyl (E)-3-[4-amino-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridin-7-yl]prop-2-enoate
CID 45140069
3-[4-amino-3-[4-[[3-(aminomethyl)phenyl]carbamoylamino]phenyl]thieno[3,2-c]pyridin-7-yl]-N-pyridin-3-ylprop-2-enamide
CID 174495206

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide (CID 18450643) is (E)-3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide is CNC(=O)/C=C/c1cnc(N)c2c(-c3ccccc3)csc12.
What is the InChIKey of (E)-3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide?
The InChIKey is LZZYPVDOPDMUEO-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H15N3OS/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/h2-10H,1H3,(H2,18,20)(H,19,21)/b8-7+.
What are the key properties of (E)-3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide?
(E)-3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide has a molecular weight of 309.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 18450643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).