5-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C19H18N4O4 — CID 11360578

IUPAC5-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c2ncc(NC(=O)c3ccc4c(c3)OCO4)cc12
InChIInChI=1S/C19H18N4O4/c1-10(2)22-19(25)14-8-21-17-13(14)6-12(7-20-17)23-18(24)11-3-4-15-16(5-11)27-9-26-15/h3-8,10H,9H2,1-2H3,(H,20,21)(H,22,25)(H,23,24)
InChIKeyZYKKWFLWTZKQNT-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.68
Rot. Bonds4

About 5-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

5-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 11360578) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 5-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID11360578
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name5-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c2ncc(NC(=O)c3ccc4c(c3)OCO4)cc12
InChIInChI=1S/C19H18N4O4/c1-10(2)22-19(25)14-8-21-17-13(14)6-12(7-20-17)23-18(24)11-3-4-15-16(5-11)27-9-26-15/h3-8,10H,9H2,1-2H3,(H,20,21)(H,22,25)(H,23,24)
InChIKeyZYKKWFLWTZKQNT-UHFFFAOYSA-N
XLogP2.68
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113034521
N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 669665
N-[6-(N-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113016484
N-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 952845
N-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 969062
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1,3-benzodioxole-5-carboxamide
CID 91967957
N-[4-(4-fluoroanilino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112986861
N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113032826
N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 28902756
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113032271
N-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113019421
N-(5-acetamido-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 166209984

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 11360578) is 5-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is CC(C)NC(=O)c1c[nH]c2ncc(NC(=O)c3ccc4c(c3)OCO4)cc12.
What is the InChIKey of 5-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is ZYKKWFLWTZKQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-10(2)22-19(25)14-8-21-17-13(14)6-12(7-20-17)23-18(24)11-3-4-15-16(5-11)27-9-26-15/h3-8,10H,9H2,1-2H3,(H,20,21)(H,22,25)(H,23,24).
What are the key properties of 5-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
5-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 11360578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).