N-(3-methoxypropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide

C18H19N3O2 — CID 169304012

IUPACN-(3-methoxypropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide
SMILESCOCCCNC(=O)c1ccc(-c2nccc3[nH]ccc23)cc1
InChIInChI=1S/C18H19N3O2/c1-23-12-2-9-21-18(22)14-5-3-13(4-6-14)17-15-7-10-19-16(15)8-11-20-17/h3-8,10-11,19H,2,9,12H2,1H3,(H,21,22)
InChIKeyGWFKTBHQHHIHQU-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.00
Rot. Bonds6

About N-(3-methoxypropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide

N-(3-methoxypropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide (PubChem CID 169304012) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide
PubChem CID169304012
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(3-methoxypropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide
SMILESCOCCCNC(=O)c1ccc(-c2nccc3[nH]ccc23)cc1
InChIInChI=1S/C18H19N3O2/c1-23-12-2-9-21-18(22)14-5-3-13(4-6-14)17-15-7-10-19-16(15)8-11-20-17/h3-8,10-11,19H,2,9,12H2,1H3,(H,21,22)
InChIKeyGWFKTBHQHHIHQU-UHFFFAOYSA-N
XLogP3.00
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide
CID 162519663
N-(cyclopentylmethyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide
CID 166901043
N-(3-methoxypropyl)-4-pyridin-2-ylbenzamide
CID 110464861
4-(1H-pyrrolo[3,2-c]pyridin-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]benzamide
CID 169304013
N-[3-(2-methoxyethoxy)propyl]-4-phenylbenzamide
CID 134029636
N-(3-methoxypropyl)-4-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116798
4-(ethylamino)-N-(3-methoxypropyl)benzamide
CID 62167523
4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide
CID 35513931
4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045277
N-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide
CID 83040136
N-(3-methoxypropyl)-6-phenylpyridine-3-carboxamide
CID 110683628
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide?
The IUPAC name of N-(3-methoxypropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide (CID 169304012) is N-(3-methoxypropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide?
The canonical SMILES for N-(3-methoxypropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide is COCCCNC(=O)c1ccc(-c2nccc3[nH]ccc23)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide?
The InChIKey is GWFKTBHQHHIHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-23-12-2-9-21-18(22)14-5-3-13(4-6-14)17-15-7-10-19-16(15)8-11-20-17/h3-8,10-11,19H,2,9,12H2,1H3,(H,21,22).
What are the key properties of N-(3-methoxypropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide?
N-(3-methoxypropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide has a molecular weight of 309.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide is sourced from PubChem (CID 169304012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).