N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide

C14H14N4OS — CID 24803135

IUPACN-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
SMILESNCCNC(=O)c1ccc(-c2ccnc3[nH]ccc23)s1
InChIInChI=1S/C14H14N4OS/c15-5-8-18-14(19)12-2-1-11(20-12)9-3-6-16-13-10(9)4-7-17-13/h1-4,6-7H,5,8,15H2,(H,16,17)(H,18,19)
InChIKeyNOHORLZHJAABNO-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.98
Rot. Bonds4

About N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide

N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide (PubChem CID 24803135) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
PubChem CID24803135
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
SMILESNCCNC(=O)c1ccc(-c2ccnc3[nH]ccc23)s1
InChIInChI=1S/C14H14N4OS/c15-5-8-18-14(19)12-2-1-11(20-12)9-3-6-16-13-10(9)4-7-17-13/h1-4,6-7H,5,8,15H2,(H,16,17)(H,18,19)
InChIKeyNOHORLZHJAABNO-UHFFFAOYSA-N
XLogP1.98
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide (CID 24803135) is N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide is NCCNC(=O)c1ccc(-c2ccnc3[nH]ccc23)s1.
What is the InChIKey of N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide?
The InChIKey is NOHORLZHJAABNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c15-5-8-18-14(19)12-2-1-11(20-12)9-3-6-16-13-10(9)4-7-17-13/h1-4,6-7H,5,8,15H2,(H,16,17)(H,18,19).
What are the key properties of N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide?
N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 24803135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).