N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]carbamate

C36H36N8O3 — CID 158257371

IUPACN-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]carbamate
SMILESCC(=O)Nc1cc(-c2cnc3ccn(CC4CC4)c3c2)ccn1.COC(=O)Nc1cc(-c2cnc3ccn(CC4CC4)c3c2)ccn1
InChIInChI=1S/C18H18N4O2.C18H18N4O/c1-24-18(23)21-17-9-13(4-6-19-17)14-8-16-15(20-10-14)5-7-22(16)11-12-2-3-12;1-12(23)21-18-9-14(4-6-19-18)15-8-17-16(20-10-15)5-7-22(17)11-13-2-3-13/h4-10,12H,2-3,11H2,1H3,(H,19,21,23);4-10,13H,2-3,11H2,1H3,(H,19,21,23)
InChIKeyGHLHORCNXVNABY-UHFFFAOYSA-N
MW628.74 g/mol
LogP7.15
Rot. Bonds8

About N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]carbamate

N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]carbamate (PubChem CID 158257371) has the molecular formula C36H36N8O3 and a molecular weight of 628.74 g/mol. Its IUPAC name is N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]carbamate.

Molecular Properties

Compound NameN-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]carbamate
PubChem CID158257371
Molecular FormulaC36H36N8O3
Molecular Weight628.74 g/mol
Exact Mass628.29
IUPAC NameN-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]carbamate
SMILESCC(=O)Nc1cc(-c2cnc3ccn(CC4CC4)c3c2)ccn1.COC(=O)Nc1cc(-c2cnc3ccn(CC4CC4)c3c2)ccn1
InChIInChI=1S/C18H18N4O2.C18H18N4O/c1-24-18(23)21-17-9-13(4-6-19-17)14-8-16-15(20-10-14)5-7-22(16)11-12-2-3-12;1-12(23)21-18-9-14(4-6-19-18)15-8-17-16(20-10-15)5-7-22(17)11-13-2-3-13/h4-10,12H,2-3,11H2,1H3,(H,19,21,23);4-10,13H,2-3,11H2,1H3,(H,19,21,23)
InChIKeyGHLHORCNXVNABY-UHFFFAOYSA-N
XLogP7.15
TPSA128.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.74
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]carbamate with MolForge

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Related Compounds

1H-Pyrrolo(3,2-c)pyridine-1-acetamide, 4-(2-methyl-4-pyridinyl)-N-(5-(2-pyrazinyl)-2-pyridinyl)-
CID 121280694
1-[(1R,5S)-6-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 146316177
1-Ethyl-3-[1-(Pyridin-2-Yl)-6-(Pyridin-3-Yl)-1h-Pyrrolo[3,2-B]pyridin-3-Yl]urea
CID 92045130
5-(N-[cyclopropanecarbonyl]amino)-3-(1-methylpiperidin-4-yl)pyrrolo[3,2-b]pyridine
CID 11011968
N-[4-[3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121411862
N-[4-[3-(6-fluoro-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121411952
N-[4-[3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121412028
4-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methylpiperidine-1-carboxamide
CID 58379488
1-(1-Acetylpiperidin-4-yl)-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379496
1-(1-Acetylpiperidin-4-yl)-8-(6-amino-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379604
4-[8-[6-(Dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxamide
CID 58379609
4-[4-[6-(2-Fluoro-4-pyridinyl)-3-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]piperidin-1-yl]-5-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 132162070

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]carbamate?
The IUPAC name of N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]carbamate (CID 158257371) is N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]carbamate.
What is the SMILES notation for N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]carbamate?
The canonical SMILES for N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]carbamate is CC(=O)Nc1cc(-c2cnc3ccn(CC4CC4)c3c2)ccn1.COC(=O)Nc1cc(-c2cnc3ccn(CC4CC4)c3c2)ccn1.
What is the InChIKey of N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]carbamate?
The InChIKey is GHLHORCNXVNABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2.C18H18N4O/c1-24-18(23)21-17-9-13(4-6-19-17)14-8-16-15(20-10-14)5-7-22(16)11-12-2-3-12;1-12(23)21-18-9-14(4-6-19-18)15-8-17-16(20-10-15)5-7-22(17)11-13-2-3-13/h4-10,12H,2-3,11H2,1H3,(H,19,21,23);4-10,13H,2-3,11H2,1H3,(H,19,21,23).
What are the key properties of N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]carbamate?
N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]carbamate has a molecular weight of 628.74 g/mol, XLogP of 7.15, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 158257371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).