N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-4-pyrrol-1-ylbenzamide

C24H21N3O2 — CID 84559658

IUPACN-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-4-pyrrol-1-ylbenzamide
SMILESCc1ccccc1COc1cccnc1NC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C24H21N3O2/c1-18-7-2-3-8-20(18)17-29-22-9-6-14-25-23(22)26-24(28)19-10-12-21(13-11-19)27-15-4-5-16-27/h2-16H,17H2,1H3,(H,25,26,28)
InChIKeyDBCCMQBIVGJROI-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.01
Rot. Bonds6

About N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-4-pyrrol-1-ylbenzamide

N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-4-pyrrol-1-ylbenzamide (PubChem CID 84559658) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-4-pyrrol-1-ylbenzamide
PubChem CID84559658
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-4-pyrrol-1-ylbenzamide
SMILESCc1ccccc1COc1cccnc1NC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C24H21N3O2/c1-18-7-2-3-8-20(18)17-29-22-9-6-14-25-23(22)26-24(28)19-10-12-21(13-11-19)27-15-4-5-16-27/h2-16H,17H2,1H3,(H,25,26,28)
InChIKeyDBCCMQBIVGJROI-UHFFFAOYSA-N
XLogP5.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide
CID 84559706
N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide
CID 84560046
3-chloro-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide
CID 84558608
N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-2-phenylacetamide
CID 84558977
5-bromo-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]furan-2-carboxamide
CID 84558997
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide
CID 4125669
3-(1,3-dioxoisoindol-2-yl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]propanamide
CID 84559542
2-(4-chlorophenoxy)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide
CID 84559835
4-(1,3-dioxoisoindol-2-yl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]butanamide
CID 84559868
(E)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-3-(2-propoxyphenyl)prop-2-enamide
CID 84559480
(E)-3-(3-fluorophenyl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]prop-2-enamide
CID 84562015
N-(3-hydroxy-2-pyridinyl)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 30946382

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-4-pyrrol-1-ylbenzamide (CID 84559658) is N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-4-pyrrol-1-ylbenzamide is Cc1ccccc1COc1cccnc1NC(=O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is DBCCMQBIVGJROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-18-7-2-3-8-20(18)17-29-22-9-6-14-25-23(22)26-24(28)19-10-12-21(13-11-19)27-15-4-5-16-27/h2-16H,17H2,1H3,(H,25,26,28).
What are the key properties of N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-4-pyrrol-1-ylbenzamide?
N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 383.45 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 84559658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).