2-(4-fluoroanilino)-4-(methoxymethyl)-6-methyl-5-pyrrol-1-ylpyridine-3-carbonitrile

C19H17FN4O — CID 16763271

IUPAC2-(4-fluoroanilino)-4-(methoxymethyl)-6-methyl-5-pyrrol-1-ylpyridine-3-carbonitrile
SMILESCOCc1c(C#N)c(Nc2ccc(F)cc2)nc(C)c1-n1cccc1
InChIInChI=1S/C19H17FN4O/c1-13-18(24-9-3-4-10-24)17(12-25-2)16(11-21)19(22-13)23-15-7-5-14(20)6-8-15/h3-10H,12H2,1-2H3,(H,22,23)
InChIKeyLKZVRKRSFGKYOJ-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.08
Rot. Bonds5

About 2-(4-fluoroanilino)-4-(methoxymethyl)-6-methyl-5-pyrrol-1-ylpyridine-3-carbonitrile

2-(4-fluoroanilino)-4-(methoxymethyl)-6-methyl-5-pyrrol-1-ylpyridine-3-carbonitrile (PubChem CID 16763271) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-4-(methoxymethyl)-6-methyl-5-pyrrol-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-fluoroanilino)-4-(methoxymethyl)-6-methyl-5-pyrrol-1-ylpyridine-3-carbonitrile
PubChem CID16763271
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name2-(4-fluoroanilino)-4-(methoxymethyl)-6-methyl-5-pyrrol-1-ylpyridine-3-carbonitrile
SMILESCOCc1c(C#N)c(Nc2ccc(F)cc2)nc(C)c1-n1cccc1
InChIInChI=1S/C19H17FN4O/c1-13-18(24-9-3-4-10-24)17(12-25-2)16(11-21)19(22-13)23-15-7-5-14(20)6-8-15/h3-10H,12H2,1-2H3,(H,22,23)
InChIKeyLKZVRKRSFGKYOJ-UHFFFAOYSA-N
XLogP4.08
TPSA62.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluoroanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 706821
5-fluoro-4-(methoxymethyl)-2-methylpyridine-3-carbonitrile
CID 90328866
N-(4-fluorophenyl)-6-(methoxymethyl)pyridin-3-amine
CID 91597555
5-fluoro-2-[3-(methoxymethyl)anilino]benzonitrile
CID 63669379
2-anilino-3-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one
CID 71203112
6-N-ethyl-4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80761163
2-amino-4-(cyanomethyl)-6-(4-ethoxyanilino)pyridine-3,5-dicarbonitrile
CID 7996711
3-(3-fluoro-5-methoxyanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 133361981
2-(4-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile
CID 3360693
4-methoxy-2-(4-phenylmethoxyanilino)pyridine-3-carbonitrile
CID 1475663
4-anilino-3,6-difluoro-5-(4-methoxyanilino)benzene-1,2-dicarbonitrile
CID 139814018
2-anilino-6-pyrrol-1-ylpyridine-3,5-dicarbonitrile
CID 139236372

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-4-(methoxymethyl)-6-methyl-5-pyrrol-1-ylpyridine-3-carbonitrile?
The IUPAC name of 2-(4-fluoroanilino)-4-(methoxymethyl)-6-methyl-5-pyrrol-1-ylpyridine-3-carbonitrile (CID 16763271) is 2-(4-fluoroanilino)-4-(methoxymethyl)-6-methyl-5-pyrrol-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-fluoroanilino)-4-(methoxymethyl)-6-methyl-5-pyrrol-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-(4-fluoroanilino)-4-(methoxymethyl)-6-methyl-5-pyrrol-1-ylpyridine-3-carbonitrile is COCc1c(C#N)c(Nc2ccc(F)cc2)nc(C)c1-n1cccc1.
What is the InChIKey of 2-(4-fluoroanilino)-4-(methoxymethyl)-6-methyl-5-pyrrol-1-ylpyridine-3-carbonitrile?
The InChIKey is LKZVRKRSFGKYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-13-18(24-9-3-4-10-24)17(12-25-2)16(11-21)19(22-13)23-15-7-5-14(20)6-8-15/h3-10H,12H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-fluoroanilino)-4-(methoxymethyl)-6-methyl-5-pyrrol-1-ylpyridine-3-carbonitrile?
2-(4-fluoroanilino)-4-(methoxymethyl)-6-methyl-5-pyrrol-1-ylpyridine-3-carbonitrile has a molecular weight of 336.37 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-4-(methoxymethyl)-6-methyl-5-pyrrol-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 16763271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).