3-(3-phenylpropyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxamide

C17H17N3O — CID 123557711

IUPAC3-(3-phenylpropyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
SMILESNC(=O)c1cc2c(CCCc3ccccc3)c[nH]c2cn1
InChIInChI=1S/C17H17N3O/c18-17(21)15-9-14-13(10-19-16(14)11-20-15)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H2,18,21)
InChIKeyBDWFYROUBKMRPV-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.84
Rot. Bonds5

About 3-(3-phenylpropyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxamide

3-(3-phenylpropyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 123557711) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(3-phenylpropyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-(3-phenylpropyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID123557711
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-(3-phenylpropyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
SMILESNC(=O)c1cc2c(CCCc3ccccc3)c[nH]c2cn1
InChIInChI=1S/C17H17N3O/c18-17(21)15-9-14-13(10-19-16(14)11-20-15)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H2,18,21)
InChIKeyBDWFYROUBKMRPV-UHFFFAOYSA-N
XLogP2.84
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(phenylmethoxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid
CID 67838414
(E)-3-[3-(3-phenylpropyl)-1H-indol-5-yl]prop-2-enoic acid
CID 68519223
4-(1H-indol-3-yl)butanamide
CID 588715
2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine
CID 22419950
2-(3-phenylpropyl)phenolate
CID 123450771
benzyl 9H-pyrido[3,4-b]indole-3-carboxylate
CID 12957539
ethyl 3-(hydroxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylate
CID 12043936
10-(1H-indol-3-yl)-1-pyridin-3-yldecan-3-one
CID 158901576
N-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide
CID 157150353
2-[2-(3-phenylpropyl)phenyl]acetic acid
CID 23284627
N-hydroxy-3-(hydroxymethyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
CID 86623138
disodium;hydride;4-(1H-indol-3-yl)butanoic acid
CID 174726095

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpropyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-(3-phenylpropyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxamide (CID 123557711) is 3-(3-phenylpropyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-(3-phenylpropyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-(3-phenylpropyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxamide is NC(=O)c1cc2c(CCCc3ccccc3)c[nH]c2cn1.
What is the InChIKey of 3-(3-phenylpropyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is BDWFYROUBKMRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-17(21)15-9-14-13(10-19-16(14)11-20-15)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H2,18,21).
What are the key properties of 3-(3-phenylpropyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxamide?
3-(3-phenylpropyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpropyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 123557711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).