N-(2-methoxyethyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide

C14H19N3O2 — CID 53162969

IUPACN-(2-methoxyethyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCCn1cc(C(=O)NCCOC)c2cccnc21
InChIInChI=1S/C14H19N3O2/c1-3-8-17-10-12(14(18)16-7-9-19-2)11-5-4-6-15-13(11)17/h4-6,10H,3,7-9H2,1-2H3,(H,16,18)
InChIKeyFNEXNGZSNVZKLD-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.82
Rot. Bonds6

About N-(2-methoxyethyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide

N-(2-methoxyethyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 53162969) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID53162969
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(2-methoxyethyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCCn1cc(C(=O)NCCOC)c2cccnc21
InChIInChI=1S/C14H19N3O2/c1-3-8-17-10-12(14(18)16-7-9-19-2)11-5-4-6-15-13(11)17/h4-6,10H,3,7-9H2,1-2H3,(H,16,18)
InChIKeyFNEXNGZSNVZKLD-UHFFFAOYSA-N
XLogP1.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162961
methyl 2-(1-butylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate
CID 58719772
N-[(4-morpholin-4-ylphenyl)methyl]-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162992
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 53145112
1-[1-(4-butoxybutyl)pyrrolo[2,3-b]pyridin-3-yl]ethanone
CID 141421133
2-methyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrazole-3-carboxamide
CID 53145144
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide
CID 53145138
1-ethyl-N-[(4-methylsulfanylphenyl)methyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162947
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 53145099
N-[(4-methoxyphenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162853
3-[3-[(2-methoxyethylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66413413
1-(2-methoxyethyl)-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 71704949

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 53162969) is N-(2-methoxyethyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide is CCCn1cc(C(=O)NCCOC)c2cccnc21.
What is the InChIKey of N-(2-methoxyethyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is FNEXNGZSNVZKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-8-17-10-12(14(18)16-7-9-19-2)11-5-4-6-15-13(11)17/h4-6,10H,3,7-9H2,1-2H3,(H,16,18).
What are the key properties of N-(2-methoxyethyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide?
N-(2-methoxyethyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 53162969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).