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

C17H19N5OS — CID 67959432

IUPACN-piperidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide
SMILESO=C(NN1CCCCC1)c1sccc1Nc1ccnc2[nH]ccc12
InChIInChI=1S/C17H19N5OS/c23-17(21-22-9-2-1-3-10-22)15-14(6-11-24-15)20-13-5-8-19-16-12(13)4-7-18-16/h4-8,11H,1-3,9-10H2,(H,21,23)(H2,18,19,20)
InChIKeyIWQQCMUCJYDALR-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.50
Rot. Bonds4

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

N-piperidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide (PubChem CID 67959432) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-piperidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-piperidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide
PubChem CID67959432
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-piperidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide
SMILESO=C(NN1CCCCC1)c1sccc1Nc1ccnc2[nH]ccc12
InChIInChI=1S/C17H19N5OS/c23-17(21-22-9-2-1-3-10-22)15-14(6-11-24-15)20-13-5-8-19-16-12(13)4-7-18-16/h4-8,11H,1-3,9-10H2,(H,21,23)(H2,18,19,20)
InChIKeyIWQQCMUCJYDALR-UHFFFAOYSA-N
XLogP3.50
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyrrolidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide
CID 66958088
N-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide
CID 130459068
N-[(1S)-2-amino-1-(3-fluorophenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide
CID 50923592
N-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxamide
CID 50923995
2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carbaldehyde
CID 89118347
3-amino-N-piperidin-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 83025024
[3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-[(1S)-2-hydroxy-1-phenylethyl]carbamate
CID 130442795
3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)benzoic acid
CID 58086793
[3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-[2-[(4-methylphenyl)methylamino]ethyl]carbamate
CID 130442873
1-N-methyl-4-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzene-1,4-diamine
CID 143384741
4-amino-N-piperidin-1-ylpyridine-2-carboxamide
CID 83024182
[3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-[2-(methylamino)-1-phenylethyl]carbamate
CID 130442888

Frequently Asked Questions

What is the IUPAC name of N-piperidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide?
The IUPAC name of N-piperidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide (CID 67959432) is N-piperidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-piperidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide?
The canonical SMILES for N-piperidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide is O=C(NN1CCCCC1)c1sccc1Nc1ccnc2[nH]ccc12.
What is the InChIKey of N-piperidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide?
The InChIKey is IWQQCMUCJYDALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c23-17(21-22-9-2-1-3-10-22)15-14(6-11-24-15)20-13-5-8-19-16-12(13)4-7-18-16/h4-8,11H,1-3,9-10H2,(H,21,23)(H2,18,19,20).
What are the key properties of N-piperidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide?
N-piperidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide is sourced from PubChem (CID 67959432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).