[6-(1H-pyrrol-3-yl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone

C19H18N2O4 — CID 155533158

IUPAC[6-(1H-pyrrol-3-yl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cccc(-c3cc[nH]c3)n2)cc(OC)c1OC
InChIInChI=1S/C19H18N2O4/c1-23-16-9-13(10-17(24-2)19(16)25-3)18(22)15-6-4-5-14(21-15)12-7-8-20-11-12/h4-11,20H,1-3H3
InChIKeyNHKULRKZAMSJPN-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.33
Rot. Bonds6

About [6-(1H-pyrrol-3-yl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone

[6-(1H-pyrrol-3-yl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 155533158) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is [6-(1H-pyrrol-3-yl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[6-(1H-pyrrol-3-yl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID155533158
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name[6-(1H-pyrrol-3-yl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cccc(-c3cc[nH]c3)n2)cc(OC)c1OC
InChIInChI=1S/C19H18N2O4/c1-23-16-9-13(10-17(24-2)19(16)25-3)18(22)15-6-4-5-14(21-15)12-7-8-20-11-12/h4-11,20H,1-3H3
InChIKeyNHKULRKZAMSJPN-UHFFFAOYSA-N
XLogP3.33
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-(1H-pyrrol-3-yl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Papaveraldine
CID 96932
Bpr-0L075
CID 10359957
(6-hydroxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 10449104
(4-hydroxy-3,5-dimethoxyphenyl)(6-methoxy-1H-indol-3-yl)methanone
CID 11645570
(6-ethoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 11291211
N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide
CID 6498566
3,4,5-trimethoxy-N-3-pyridylbenzamide
CID 678080
(4R)-2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 10254533
(7-iodo-6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 16110549
1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piperidine-2-carboxylic acid 3-(1H-indol-3-yl)-propyl ester
CID 44365271
[1-(3-Aminophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 102340756
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2546012

Frequently Asked Questions

What is the IUPAC name of [6-(1H-pyrrol-3-yl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [6-(1H-pyrrol-3-yl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone (CID 155533158) is [6-(1H-pyrrol-3-yl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [6-(1H-pyrrol-3-yl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [6-(1H-pyrrol-3-yl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cccc(-c3cc[nH]c3)n2)cc(OC)c1OC.
What is the InChIKey of [6-(1H-pyrrol-3-yl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is NHKULRKZAMSJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-23-16-9-13(10-17(24-2)19(16)25-3)18(22)15-6-4-5-14(21-15)12-7-8-20-11-12/h4-11,20H,1-3H3.
What are the key properties of [6-(1H-pyrrol-3-yl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone?
[6-(1H-pyrrol-3-yl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 338.36 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1H-pyrrol-3-yl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 155533158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).