4-acetyl-N-(1H-indol-7-ylmethyl)-1H-pyrrole-2-carboxamide

C16H15N3O2 — CID 171483280

IUPAC4-acetyl-N-(1H-indol-7-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NCc2cccc3cc[nH]c23)c1
InChIInChI=1S/C16H15N3O2/c1-10(20)13-7-14(18-9-13)16(21)19-8-12-4-2-3-11-5-6-17-15(11)12/h2-7,9,17-18H,8H2,1H3,(H,19,21)
InChIKeyGVSCCUDVGZMMGO-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.63
Rot. Bonds4

About 4-acetyl-N-(1H-indol-7-ylmethyl)-1H-pyrrole-2-carboxamide

4-acetyl-N-(1H-indol-7-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 171483280) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-acetyl-N-(1H-indol-7-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(1H-indol-7-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID171483280
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name4-acetyl-N-(1H-indol-7-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NCc2cccc3cc[nH]c23)c1
InChIInChI=1S/C16H15N3O2/c1-10(20)13-7-14(18-9-13)16(21)19-8-12-4-2-3-11-5-6-17-15(11)12/h2-7,9,17-18H,8H2,1H3,(H,19,21)
InChIKeyGVSCCUDVGZMMGO-UHFFFAOYSA-N
XLogP2.63
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 171483228
4-acetyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 46478370
4-acetyl-1H-pyrrole-2-carbohydrazide
CID 2768115
4-acetyl-N-(1-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide
CID 43394554
4-acetyl-N-[[4-(diethylaminomethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 8948537
4-acetyl-N-[(2R)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
CID 83039375
4-acetyl-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide
CID 43394553
2-(1H-indol-7-ylmethylamino)-N-methylacetamide
CID 103640761
(Z)-3-(1H-indol-7-ylmethylamino)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enoic acid
CID 134252734
4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 24616530
4-acetyl-N-(6-hydroxyhexyl)-1H-pyrrole-2-carboxamide
CID 103918698
4-acetyl-N-[3-(3-methylphenoxy)propyl]-1H-pyrrole-2-carboxamide
CID 42575949

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(1H-indol-7-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(1H-indol-7-ylmethyl)-1H-pyrrole-2-carboxamide (CID 171483280) is 4-acetyl-N-(1H-indol-7-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(1H-indol-7-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(1H-indol-7-ylmethyl)-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)NCc2cccc3cc[nH]c23)c1.
What is the InChIKey of 4-acetyl-N-(1H-indol-7-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is GVSCCUDVGZMMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10(20)13-7-14(18-9-13)16(21)19-8-12-4-2-3-11-5-6-17-15(11)12/h2-7,9,17-18H,8H2,1H3,(H,19,21).
What are the key properties of 4-acetyl-N-(1H-indol-7-ylmethyl)-1H-pyrrole-2-carboxamide?
4-acetyl-N-(1H-indol-7-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(1H-indol-7-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 171483280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).