6-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-benzodioxole-5-carboxamide

C15H12N4O3 — CID 56883124

IUPAC6-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-benzodioxole-5-carboxamide
SMILESNC(=O)c1cc2c(cc1-c1cc(N)nc3[nH]ccc13)OCO2
InChIInChI=1S/C15H12N4O3/c16-13-5-9(7-1-2-18-15(7)19-13)8-3-11-12(22-6-21-11)4-10(8)14(17)20/h1-5H,6H2,(H2,17,20)(H3,16,18,19)
InChIKeyRMFLSMNVKXJLRB-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.64
Rot. Bonds2

About 6-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-benzodioxole-5-carboxamide

6-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 56883124) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 6-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name6-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID56883124
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name6-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-benzodioxole-5-carboxamide
SMILESNC(=O)c1cc2c(cc1-c1cc(N)nc3[nH]ccc13)OCO2
InChIInChI=1S/C15H12N4O3/c16-13-5-9(7-1-2-18-15(7)19-13)8-3-11-12(22-6-21-11)4-10(8)14(17)20/h1-5H,6H2,(H2,17,20)(H3,16,18,19)
InChIKeyRMFLSMNVKXJLRB-UHFFFAOYSA-N
XLogP1.64
TPSA116.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2-methylpropanamide
CID 56887929
4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-chlorobenzoic acid
CID 56911743
6-(1-benzofuran-2-yl)-1,3-benzodioxole-5-carboxamide
CID 56708499
4-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56873902
5-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-butylfuran-2-carboxamide
CID 56908693
1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 23515094
4-(1,3-benzodioxol-5-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 59805786
6-[(2S)-2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]-1,3-benzodioxole-5-carboxamide
CID 95212983
6-amino-N-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 13267897
methyl 6-(4-methoxyphenyl)-1,3-benzodioxole-5-carboxylate
CID 625404
4-(1-methyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56884197
6-(2,4,5-trihydroxycyclohexyl)-1,3-benzodioxole-5-carboxamide
CID 91117664

Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 6-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-benzodioxole-5-carboxamide (CID 56883124) is 6-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 6-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 6-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-benzodioxole-5-carboxamide is NC(=O)c1cc2c(cc1-c1cc(N)nc3[nH]ccc13)OCO2.
What is the InChIKey of 6-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is RMFLSMNVKXJLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c16-13-5-9(7-1-2-18-15(7)19-13)8-3-11-12(22-6-21-11)4-10(8)14(17)20/h1-5H,6H2,(H2,17,20)(H3,16,18,19).
What are the key properties of 6-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-benzodioxole-5-carboxamide?
6-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 296.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 56883124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).