N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide

C17H15N5OS — CID 135211632

IUPACN-(3-amino-6-thiophen-2-yl-2-pyridinyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
SMILESNc1ccc(-c2cccs2)nc1NC(=O)N1Cc2cccnc2C1
InChIInChI=1S/C17H15N5OS/c18-12-5-6-13(15-4-2-8-24-15)20-16(12)21-17(23)22-9-11-3-1-7-19-14(11)10-22/h1-8H,9-10,18H2,(H,20,21,23)
InChIKeyMUCNDULRYYDACB-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.34
Rot. Bonds2

About N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide

N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide (PubChem CID 135211632) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(3-amino-6-thiophen-2-yl-2-pyridinyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
PubChem CID135211632
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC NameN-(3-amino-6-thiophen-2-yl-2-pyridinyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
SMILESNc1ccc(-c2cccs2)nc1NC(=O)N1Cc2cccnc2C1
InChIInChI=1S/C17H15N5OS/c18-12-5-6-13(15-4-2-8-24-15)20-16(12)21-17(23)22-9-11-3-1-7-19-14(11)10-22/h1-8H,9-10,18H2,(H,20,21,23)
InChIKeyMUCNDULRYYDACB-UHFFFAOYSA-N
XLogP3.34
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide?
The IUPAC name of N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide (CID 135211632) is N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide?
The canonical SMILES for N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide is Nc1ccc(-c2cccs2)nc1NC(=O)N1Cc2cccnc2C1.
What is the InChIKey of N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide?
The InChIKey is MUCNDULRYYDACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c18-12-5-6-13(15-4-2-8-24-15)20-16(12)21-17(23)22-9-11-3-1-7-19-14(11)10-22/h1-8H,9-10,18H2,(H,20,21,23).
What are the key properties of N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide?
N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide has a molecular weight of 337.41 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 135211632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).