[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

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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).