N-(1H-indol-4-yl)-4-methyl-2-pyrrol-1-ylpentanamide

C18H21N3O — CID 121239638

IUPACN-(1H-indol-4-yl)-4-methyl-2-pyrrol-1-ylpentanamide
SMILESCC(C)CC(C(=O)Nc1cccc2[nH]ccc12)n1cccc1
InChIInChI=1S/C18H21N3O/c1-13(2)12-17(21-10-3-4-11-21)18(22)20-16-7-5-6-15-14(16)8-9-19-15/h3-11,13,17,19H,12H2,1-2H3,(H,20,22)
InChIKeyNGVUJVRQXWYBAI-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.20
Rot. Bonds5

About N-(1H-indol-4-yl)-4-methyl-2-pyrrol-1-ylpentanamide

N-(1H-indol-4-yl)-4-methyl-2-pyrrol-1-ylpentanamide (PubChem CID 121239638) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(1H-indol-4-yl)-4-methyl-2-pyrrol-1-ylpentanamide.

Molecular Properties

Compound NameN-(1H-indol-4-yl)-4-methyl-2-pyrrol-1-ylpentanamide
PubChem CID121239638
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-(1H-indol-4-yl)-4-methyl-2-pyrrol-1-ylpentanamide
SMILESCC(C)CC(C(=O)Nc1cccc2[nH]ccc12)n1cccc1
InChIInChI=1S/C18H21N3O/c1-13(2)12-17(21-10-3-4-11-21)18(22)20-16-7-5-6-15-14(16)8-9-19-15/h3-11,13,17,19H,12H2,1-2H3,(H,20,22)
InChIKeyNGVUJVRQXWYBAI-UHFFFAOYSA-N
XLogP4.20
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[2-(2-methyltetrazol-5-yl)phenyl]-2-pyrrol-1-ylpentanamide
CID 121240041
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-pyrrol-1-ylpentanamide
CID 163091654
2-amino-N-(1H-indol-4-yl)acetamide
CID 110470011
N-(1H-indol-4-yl)-2,2-dimethylpropanamide
CID 110730904
1-(1H-indol-4-yl)-3-pentylurea
CID 51132800
N-(1H-indol-4-yl)-4-(methylamino)butanamide;hydrochloride
CID 119706198
2-fluoro-N-[1-(1H-indol-4-ylamino)-1-oxopropan-2-yl]benzamide
CID 134351169
N-(1H-indol-4-yl)-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide
CID 56763575
2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide
CID 110470939
fluoro N-(1H-indol-4-yl)carbamate
CID 174803649
propane;N-prop-1-en-2-yl-1H-indol-4-amine
CID 143997760
2-amino-N-(1H-indol-4-yl)-4-pyridin-4-ylbutanamide
CID 167743849

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-yl)-4-methyl-2-pyrrol-1-ylpentanamide?
The IUPAC name of N-(1H-indol-4-yl)-4-methyl-2-pyrrol-1-ylpentanamide (CID 121239638) is N-(1H-indol-4-yl)-4-methyl-2-pyrrol-1-ylpentanamide.
What is the SMILES notation for N-(1H-indol-4-yl)-4-methyl-2-pyrrol-1-ylpentanamide?
The canonical SMILES for N-(1H-indol-4-yl)-4-methyl-2-pyrrol-1-ylpentanamide is CC(C)CC(C(=O)Nc1cccc2[nH]ccc12)n1cccc1.
What is the InChIKey of N-(1H-indol-4-yl)-4-methyl-2-pyrrol-1-ylpentanamide?
The InChIKey is NGVUJVRQXWYBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13(2)12-17(21-10-3-4-11-21)18(22)20-16-7-5-6-15-14(16)8-9-19-15/h3-11,13,17,19H,12H2,1-2H3,(H,20,22).
What are the key properties of N-(1H-indol-4-yl)-4-methyl-2-pyrrol-1-ylpentanamide?
N-(1H-indol-4-yl)-4-methyl-2-pyrrol-1-ylpentanamide has a molecular weight of 295.39 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-yl)-4-methyl-2-pyrrol-1-ylpentanamide is sourced from PubChem (CID 121239638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).