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

C19H21N3O — CID 53162961

IUPACN-(2-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCCn1cc(C(=O)Nc2ccccc2CC)c2cccnc21
InChIInChI=1S/C19H21N3O/c1-3-12-22-13-16(15-9-7-11-20-18(15)22)19(23)21-17-10-6-5-8-14(17)4-2/h5-11,13H,3-4,12H2,1-2H3,(H,21,23)
InChIKeyFBSMPSBAJHSICW-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.26
Rot. Bonds5

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

N-(2-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 53162961) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID53162961
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-(2-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCCn1cc(C(=O)Nc2ccccc2CC)c2cccnc21
InChIInChI=1S/C19H21N3O/c1-3-12-22-13-16(15-9-7-11-20-18(15)22)19(23)21-17-10-6-5-8-14(17)4-2/h5-11,13H,3-4,12H2,1-2H3,(H,21,23)
InChIKeyFBSMPSBAJHSICW-UHFFFAOYSA-N
XLogP4.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162969
N-[(4-morpholin-4-ylphenyl)methyl]-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162992
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
methyl 2-(1-butylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate
CID 58719772
1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162930
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide
CID 53145138
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 53145112
2-[2-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]phenyl]acetic acid
CID 172686317
N-(2-chloro-3-pyridinyl)-2-ethylbenzamide
CID 103817631
4-oxo-1-pentyl-1,8-naphthyridine-3-carboxylic acid
CID 23636390
(2S)-2-[[1-(5-fluoropentyl)pyrrolo[2,3-b]pyridine-3-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 167995276
1-[1-(4-butoxybutyl)pyrrolo[2,3-b]pyridin-3-yl]ethanone
CID 141421133

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 53162961) is N-(2-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide is CCCn1cc(C(=O)Nc2ccccc2CC)c2cccnc21.
What is the InChIKey of N-(2-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is FBSMPSBAJHSICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-12-22-13-16(15-9-7-11-20-18(15)22)19(23)21-17-10-6-5-8-14(17)4-2/h5-11,13H,3-4,12H2,1-2H3,(H,21,23).
What are the key properties of N-(2-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide?
N-(2-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 53162961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).