2-[(4-fluoro-2-methylanilino)methyl]-6-piperidin-1-ylpyridine-4-carboxylic acid

C19H22FN3O2 — CID 44592219

IUPAC2-[(4-fluoro-2-methylanilino)methyl]-6-piperidin-1-ylpyridine-4-carboxylic acid
SMILESCc1cc(F)ccc1NCc1cc(C(=O)O)cc(N2CCCCC2)n1
InChIInChI=1S/C19H22FN3O2/c1-13-9-15(20)5-6-17(13)21-12-16-10-14(19(24)25)11-18(22-16)23-7-3-2-4-8-23/h5-6,9-11,21H,2-4,7-8,12H2,1H3,(H,24,25)
InChIKeyHYPUFMVVGWWDNR-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.83
Rot. Bonds5

About 2-[(4-fluoro-2-methylanilino)methyl]-6-piperidin-1-ylpyridine-4-carboxylic acid

2-[(4-fluoro-2-methylanilino)methyl]-6-piperidin-1-ylpyridine-4-carboxylic acid (PubChem CID 44592219) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylanilino)methyl]-6-piperidin-1-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylanilino)methyl]-6-piperidin-1-ylpyridine-4-carboxylic acid
PubChem CID44592219
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name2-[(4-fluoro-2-methylanilino)methyl]-6-piperidin-1-ylpyridine-4-carboxylic acid
SMILESCc1cc(F)ccc1NCc1cc(C(=O)O)cc(N2CCCCC2)n1
InChIInChI=1S/C19H22FN3O2/c1-13-9-15(20)5-6-17(13)21-12-16-10-14(19(24)25)11-18(22-16)23-7-3-2-4-8-23/h5-6,9-11,21H,2-4,7-8,12H2,1H3,(H,24,25)
InChIKeyHYPUFMVVGWWDNR-UHFFFAOYSA-N
XLogP3.83
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[6-(4-Hydroxy-4-methyl-1-piperidyl)-3-methyl-pyridine-2-carbonyl]amino]-3,5-dimethyl-benzoic acid
CID 86707352
4-[[6-(4,4-Difluoro-1-piperidyl)-3-methyl-pyridine-2-carbonyl]amino]-3,5-dimethyl-benzoic acid
CID 86707361
6-Methyl-2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-4-carboxylic acid
CID 122182538
4-[4-[(4,6-Dimethyl-2-pyridinyl)carbamothioyl]piperazin-1-yl]benzoic acid
CID 49852714
3-[4-[(4,6-Dimethyl-2-pyridinyl)carbamothioyl]piperazin-1-yl]benzoic acid
CID 49852753
2-((4-Fluoro-2-methylphenylamino)methyl)-6-morpholinoisonicotinic acid
CID 44138128
Ethyl 2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carboxylate
CID 44592173
(2-((4-Fluoro-2-methylphenylamino)methyl)-6-morpholinopyridin-4-yl)methanol
CID 44592216
2-((4-Fluoro-2-methylphenylamino)methyl)-6-morpholinoisonicotinaldehyde
CID 44592217
2-((4-Fluoro-2-methylphenylamino)methyl)-6-(piperazin-1-yl)isonicotinic acid
CID 44592218
2-((4-Fluoro-2-methylphenylamino)methyl)-6-(pyrrolidin-1-yl)isonicotinic acid
CID 44592258
2-((4-Fluoro-2-methylphenylamino)methyl)-6-(3-hydroxypyrrolidin-1-yl)isonicotinic acid
CID 44592259

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylanilino)methyl]-6-piperidin-1-ylpyridine-4-carboxylic acid?
The IUPAC name of 2-[(4-fluoro-2-methylanilino)methyl]-6-piperidin-1-ylpyridine-4-carboxylic acid (CID 44592219) is 2-[(4-fluoro-2-methylanilino)methyl]-6-piperidin-1-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(4-fluoro-2-methylanilino)methyl]-6-piperidin-1-ylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[(4-fluoro-2-methylanilino)methyl]-6-piperidin-1-ylpyridine-4-carboxylic acid is Cc1cc(F)ccc1NCc1cc(C(=O)O)cc(N2CCCCC2)n1.
What is the InChIKey of 2-[(4-fluoro-2-methylanilino)methyl]-6-piperidin-1-ylpyridine-4-carboxylic acid?
The InChIKey is HYPUFMVVGWWDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-13-9-15(20)5-6-17(13)21-12-16-10-14(19(24)25)11-18(22-16)23-7-3-2-4-8-23/h5-6,9-11,21H,2-4,7-8,12H2,1H3,(H,24,25).
What are the key properties of 2-[(4-fluoro-2-methylanilino)methyl]-6-piperidin-1-ylpyridine-4-carboxylic acid?
2-[(4-fluoro-2-methylanilino)methyl]-6-piperidin-1-ylpyridine-4-carboxylic acid has a molecular weight of 343.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylanilino)methyl]-6-piperidin-1-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 44592219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).