1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide

C18H22N6O2 — CID 171343055

IUPAC1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCc1c(Cn2cc(C(=O)NCCO)c3ncccc32)ncnc1N(C)C
InChIInChI=1S/C18H22N6O2/c1-12-14(21-11-22-17(12)23(2)3)10-24-9-13(18(26)20-7-8-25)16-15(24)5-4-6-19-16/h4-6,9,11,25H,7-8,10H2,1-3H3,(H,20,26)
InChIKeyHDMRNLGGHNNXHH-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.97
Rot. Bonds6

About 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide

1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 171343055) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID171343055
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCc1c(Cn2cc(C(=O)NCCO)c3ncccc32)ncnc1N(C)C
InChIInChI=1S/C18H22N6O2/c1-12-14(21-11-22-17(12)23(2)3)10-24-9-13(18(26)20-7-8-25)16-15(24)5-4-6-19-16/h4-6,9,11,25H,7-8,10H2,1-3H3,(H,20,26)
InChIKeyHDMRNLGGHNNXHH-UHFFFAOYSA-N
XLogP0.97
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide (CID 171343055) is 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide is Cc1c(Cn2cc(C(=O)NCCO)c3ncccc32)ncnc1N(C)C.
What is the InChIKey of 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is HDMRNLGGHNNXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-12-14(21-11-22-17(12)23(2)3)10-24-9-13(18(26)20-7-8-25)16-15(24)5-4-6-19-16/h4-6,9,11,25H,7-8,10H2,1-3H3,(H,20,26).
What are the key properties of 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide?
1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 171343055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).