N-methyl-N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide

C17H20N4O — CID 58897072

IUPACN-methyl-N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide
SMILESCC(C)CN(C)C(=O)c1cc(-c2ccnc3[nH]ccc23)c[nH]1
InChIInChI=1S/C17H20N4O/c1-11(2)10-21(3)17(22)15-8-12(9-20-15)13-4-6-18-16-14(13)5-7-19-16/h4-9,11,20H,10H2,1-3H3,(H,18,19)
InChIKeyJAQWFOAZXDGAGY-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.29
Rot. Bonds4

About N-methyl-N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide

N-methyl-N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide (PubChem CID 58897072) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide
PubChem CID58897072
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-methyl-N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide
SMILESCC(C)CN(C)C(=O)c1cc(-c2ccnc3[nH]ccc23)c[nH]1
InChIInChI=1S/C17H20N4O/c1-11(2)10-21(3)17(22)15-8-12(9-20-15)13-4-6-18-16-14(13)5-7-19-16/h4-9,11,20H,10H2,1-3H3,(H,18,19)
InChIKeyJAQWFOAZXDGAGY-UHFFFAOYSA-N
XLogP3.29
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-methyl-N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide (CID 58897072) is N-methyl-N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide is CC(C)CN(C)C(=O)c1cc(-c2ccnc3[nH]ccc23)c[nH]1.
What is the InChIKey of N-methyl-N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is JAQWFOAZXDGAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-11(2)10-21(3)17(22)15-8-12(9-20-15)13-4-6-18-16-14(13)5-7-19-16/h4-9,11,20H,10H2,1-3H3,(H,18,19).
What are the key properties of N-methyl-N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide?
N-methyl-N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 58897072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).