N-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide

C19H16N4OS — CID 130459068

IUPACN-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1sccc1Nc1ccnc2[nH]ccc12
InChIInChI=1S/C19H16N4OS/c24-19(22-12-13-4-2-1-3-5-13)17-16(8-11-25-17)23-15-7-10-21-18-14(15)6-9-20-18/h1-11H,12H2,(H,22,24)(H2,20,21,23)
InChIKeyOKWZZIKRIWHDEF-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.30
Rot. Bonds5

About N-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide

N-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide (PubChem CID 130459068) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide
PubChem CID130459068
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1sccc1Nc1ccnc2[nH]ccc12
InChIInChI=1S/C19H16N4OS/c24-19(22-12-13-4-2-1-3-5-13)17-16(8-11-25-17)23-15-7-10-21-18-14(15)6-9-20-18/h1-11H,12H2,(H,22,24)(H2,20,21,23)
InChIKeyOKWZZIKRIWHDEF-UHFFFAOYSA-N
XLogP4.30
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenylbutyl)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxamide
CID 158201886
N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carboxamide
CID 75583226
[3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-[2-[(4-methylphenyl)methylamino]ethyl]carbamate
CID 130442873
N-(2-benzylsulfonylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 147362035
[3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-[2-(3-fluorophenyl)ethyl]carbamate
CID 130442828
[3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-[2-(methylamino)-1-phenylethyl]carbamate
CID 130442888
[3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-[2-[(3-chloro-4-fluorophenyl)methylamino]ethyl]carbamate
CID 130442801
2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carbaldehyde
CID 89118347
N-[2-(pyridin-4-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335949
2-anilino-N-benzylpyrimidine-4-carboxamide
CID 109303802
2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110442320
5-benzyl-1-methyl-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 170040077

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide?
The IUPAC name of N-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide (CID 130459068) is N-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide?
The canonical SMILES for N-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide is O=C(NCc1ccccc1)c1sccc1Nc1ccnc2[nH]ccc12.
What is the InChIKey of N-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide?
The InChIKey is OKWZZIKRIWHDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c24-19(22-12-13-4-2-1-3-5-13)17-16(8-11-25-17)23-15-7-10-21-18-14(15)6-9-20-18/h1-11H,12H2,(H,22,24)(H2,20,21,23).
What are the key properties of N-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide?
N-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 4.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide is sourced from PubChem (CID 130459068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).