2-[4-[3-(cyclopropylmethyl)phenyl]-2,6-difluoroanilino]pyridine-3-carboxylic acid

C22H18F2N2O2 — CID 71081732

IUPAC2-[4-[3-(cyclopropylmethyl)phenyl]-2,6-difluoroanilino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1c(F)cc(-c2cccc(CC3CC3)c2)cc1F
InChIInChI=1S/C22H18F2N2O2/c23-18-11-16(15-4-1-3-14(10-15)9-13-6-7-13)12-19(24)20(18)26-21-17(22(27)28)5-2-8-25-21/h1-5,8,10-13H,6-7,9H2,(H,25,26)(H,27,28)
InChIKeyHQRDZROQGHPMHP-UHFFFAOYSA-N
MW380.39 g/mol
LogP5.42
Rot. Bonds6

About 2-[4-[3-(cyclopropylmethyl)phenyl]-2,6-difluoroanilino]pyridine-3-carboxylic acid

2-[4-[3-(cyclopropylmethyl)phenyl]-2,6-difluoroanilino]pyridine-3-carboxylic acid (PubChem CID 71081732) has the molecular formula C22H18F2N2O2 and a molecular weight of 380.39 g/mol. Its IUPAC name is 2-[4-[3-(cyclopropylmethyl)phenyl]-2,6-difluoroanilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-[3-(cyclopropylmethyl)phenyl]-2,6-difluoroanilino]pyridine-3-carboxylic acid
PubChem CID71081732
Molecular FormulaC22H18F2N2O2
Molecular Weight380.39 g/mol
Exact Mass380.13
IUPAC Name2-[4-[3-(cyclopropylmethyl)phenyl]-2,6-difluoroanilino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1c(F)cc(-c2cccc(CC3CC3)c2)cc1F
InChIInChI=1S/C22H18F2N2O2/c23-18-11-16(15-4-1-3-14(10-15)9-13-6-7-13)12-19(24)20(18)26-21-17(22(27)28)5-2-8-25-21/h1-5,8,10-13H,6-7,9H2,(H,25,26)(H,27,28)
InChIKeyHQRDZROQGHPMHP-UHFFFAOYSA-N
XLogP5.42
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.39
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid
CID 24986825
2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid
CID 107645096
2-(2,6-dichloro-4-pyridin-4-ylanilino)pyridine-3-carboxylic acid
CID 153457704
2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid
CID 62812366
2-(3-naphthalen-2-ylanilino)pyridine-3-carboxylic acid
CID 70027003
(4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 84575153
2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid
CID 63654626
2-(4-bromo-2,6-dimethylanilino)pyridine-3-carboxylic acid
CID 65499396
2-(2-cyclopentylethylamino)pyridine-3-carboxylic acid
CID 60731921
2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylic acid
CID 90093326
2-[(2-fluoro-4-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 107674901
2-[2-fluoro-4-(2-fluoro-3-methoxyphenyl)anilino]pyridine-3-carboxylic acid
CID 24986465

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(cyclopropylmethyl)phenyl]-2,6-difluoroanilino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-[3-(cyclopropylmethyl)phenyl]-2,6-difluoroanilino]pyridine-3-carboxylic acid (CID 71081732) is 2-[4-[3-(cyclopropylmethyl)phenyl]-2,6-difluoroanilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-[3-(cyclopropylmethyl)phenyl]-2,6-difluoroanilino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-[3-(cyclopropylmethyl)phenyl]-2,6-difluoroanilino]pyridine-3-carboxylic acid is O=C(O)c1cccnc1Nc1c(F)cc(-c2cccc(CC3CC3)c2)cc1F.
What is the InChIKey of 2-[4-[3-(cyclopropylmethyl)phenyl]-2,6-difluoroanilino]pyridine-3-carboxylic acid?
The InChIKey is HQRDZROQGHPMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O2/c23-18-11-16(15-4-1-3-14(10-15)9-13-6-7-13)12-19(24)20(18)26-21-17(22(27)28)5-2-8-25-21/h1-5,8,10-13H,6-7,9H2,(H,25,26)(H,27,28).
What are the key properties of 2-[4-[3-(cyclopropylmethyl)phenyl]-2,6-difluoroanilino]pyridine-3-carboxylic acid?
2-[4-[3-(cyclopropylmethyl)phenyl]-2,6-difluoroanilino]pyridine-3-carboxylic acid has a molecular weight of 380.39 g/mol, XLogP of 5.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(cyclopropylmethyl)phenyl]-2,6-difluoroanilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 71081732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).