1-[2-[benzyl(methyl)amino]ethyl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide

C28H30N8O — CID 154991535

IUPAC1-[2-[benzyl(methyl)amino]ethyl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(ccn3CCN(C)Cc3ccccc3)cn2)n1
InChIInChI=1S/C28H30N8O/c1-20(2)36-19-30-33-27(36)23-10-7-11-26(31-23)32-28(37)24-16-25-22(17-29-24)12-13-35(25)15-14-34(3)18-21-8-5-4-6-9-21/h4-13,16-17,19-20H,14-15,18H2,1-3H3,(H,31,32,37)
InChIKeyQDTOEKVSYGVNGQ-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.66
Rot. Bonds9

About 1-[2-[benzyl(methyl)amino]ethyl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide

1-[2-[benzyl(methyl)amino]ethyl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide (PubChem CID 154991535) has the molecular formula C28H30N8O and a molecular weight of 494.60 g/mol. Its IUPAC name is 1-[2-[benzyl(methyl)amino]ethyl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-[2-[benzyl(methyl)amino]ethyl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide
PubChem CID154991535
Molecular FormulaC28H30N8O
Molecular Weight494.60 g/mol
Exact Mass494.25
IUPAC Name1-[2-[benzyl(methyl)amino]ethyl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(ccn3CCN(C)Cc3ccccc3)cn2)n1
InChIInChI=1S/C28H30N8O/c1-20(2)36-19-30-33-27(36)23-10-7-11-26(31-23)32-28(37)24-16-25-22(17-29-24)12-13-35(25)15-14-34(3)18-21-8-5-4-6-9-21/h4-13,16-17,19-20H,14-15,18H2,1-3H3,(H,31,32,37)
InChIKeyQDTOEKVSYGVNGQ-UHFFFAOYSA-N
XLogP4.66
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[2-[benzyl(methyl)amino]ethyl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[benzyl(methyl)amino]ethyl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide?
The IUPAC name of 1-[2-[benzyl(methyl)amino]ethyl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide (CID 154991535) is 1-[2-[benzyl(methyl)amino]ethyl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for 1-[2-[benzyl(methyl)amino]ethyl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for 1-[2-[benzyl(methyl)amino]ethyl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(ccn3CCN(C)Cc3ccccc3)cn2)n1.
What is the InChIKey of 1-[2-[benzyl(methyl)amino]ethyl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide?
The InChIKey is QDTOEKVSYGVNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8O/c1-20(2)36-19-30-33-27(36)23-10-7-11-26(31-23)32-28(37)24-16-25-22(17-29-24)12-13-35(25)15-14-34(3)18-21-8-5-4-6-9-21/h4-13,16-17,19-20H,14-15,18H2,1-3H3,(H,31,32,37).
What are the key properties of 1-[2-[benzyl(methyl)amino]ethyl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide?
1-[2-[benzyl(methyl)amino]ethyl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[benzyl(methyl)amino]ethyl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 154991535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).