2-pyrido[3,4-b]indol-9-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide

C19H16N4OS — CID 155816783

IUPAC2-pyrido[3,4-b]indol-9-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cn1c2ccccc2c2ccncc21)c1cccs1
InChIInChI=1S/C19H16N4OS/c1-13(18-7-4-10-25-18)21-22-19(24)12-23-16-6-3-2-5-14(16)15-8-9-20-11-17(15)23/h2-11H,12H2,1H3,(H,22,24)/b21-13-
InChIKeyOVEPRQBTDPGRCH-BKUYFWCQSA-N
MW348.43 g/mol
LogP3.79
Rot. Bonds4

About 2-pyrido[3,4-b]indol-9-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide

2-pyrido[3,4-b]indol-9-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide (PubChem CID 155816783) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-pyrido[3,4-b]indol-9-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-pyrido[3,4-b]indol-9-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
PubChem CID155816783
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name2-pyrido[3,4-b]indol-9-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cn1c2ccccc2c2ccncc21)c1cccs1
InChIInChI=1S/C19H16N4OS/c1-13(18-7-4-10-25-18)21-22-19(24)12-23-16-6-3-2-5-14(16)15-8-9-20-11-17(15)23/h2-11H,12H2,1H3,(H,22,24)/b21-13-
InChIKeyOVEPRQBTDPGRCH-BKUYFWCQSA-N
XLogP3.79
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362
1-[2-(piperidin-1-yl)ethyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329363
1-[3-(4-methylpiperazin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329366
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h
CID 5329368
N-(pyridin-2-ylmethyl)-2-(2-thien-2-yl-1H-indol-1-yl)acetamide
CID 46275360
2-(benzotriazol-1-yl)-~{N}-(4-pyridin-3-ylphenyl)-~{N}-(thiophen-3-ylmethyl)ethanamide
CID 56973495
ML300-based SC inhibitor 14
CID 156027215
(E)-N'-((1H-indol-3-yl)methylene)-2-(pyridin-2-ylthio)acetohydrazide
CID 135439639
(E)-N-(2-(2-((1H-indol-3-yl)methylene)hydrazinyl)-2-oxoethyl)thiophene-2-carboxamide
CID 135541105
1-thiophen-3-yl-9H-pyrido[3,4-b]indole
CID 44286020
N,N-dimethyl-2-[6-(4-methylthiophen-2-yl)pyrrolo[3,2-b]pyridin-1-yl]acetamide
CID 124175991

Frequently Asked Questions

What is the IUPAC name of 2-pyrido[3,4-b]indol-9-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide?
The IUPAC name of 2-pyrido[3,4-b]indol-9-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide (CID 155816783) is 2-pyrido[3,4-b]indol-9-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide.
What is the SMILES notation for 2-pyrido[3,4-b]indol-9-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide?
The canonical SMILES for 2-pyrido[3,4-b]indol-9-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide is C/C(=N/NC(=O)Cn1c2ccccc2c2ccncc21)c1cccs1.
What is the InChIKey of 2-pyrido[3,4-b]indol-9-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide?
The InChIKey is OVEPRQBTDPGRCH-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-13(18-7-4-10-25-18)21-22-19(24)12-23-16-6-3-2-5-14(16)15-8-9-20-11-17(15)23/h2-11H,12H2,1H3,(H,22,24)/b21-13-.
What are the key properties of 2-pyrido[3,4-b]indol-9-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide?
2-pyrido[3,4-b]indol-9-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide has a molecular weight of 348.43 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrido[3,4-b]indol-9-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide is sourced from PubChem (CID 155816783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).