3-(2-fluoro-4-piperidin-4-ylanilino)-5-piperidin-1-ylpyrazine-2-carboxamide

C21H27FN6O — CID 138516087

IUPAC3-(2-fluoro-4-piperidin-4-ylanilino)-5-piperidin-1-ylpyrazine-2-carboxamide
SMILESNC(=O)c1ncc(N2CCCCC2)nc1Nc1ccc(C2CCNCC2)cc1F
InChIInChI=1S/C21H27FN6O/c22-16-12-15(14-6-8-24-9-7-14)4-5-17(16)26-21-19(20(23)29)25-13-18(27-21)28-10-2-1-3-11-28/h4-5,12-14,24H,1-3,6-11H2,(H2,23,29)(H,26,27)
InChIKeyZVZXKMMVTPVFEO-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.92
Rot. Bonds5

About 3-(2-fluoro-4-piperidin-4-ylanilino)-5-piperidin-1-ylpyrazine-2-carboxamide

3-(2-fluoro-4-piperidin-4-ylanilino)-5-piperidin-1-ylpyrazine-2-carboxamide (PubChem CID 138516087) has the molecular formula C21H27FN6O and a molecular weight of 398.49 g/mol. Its IUPAC name is 3-(2-fluoro-4-piperidin-4-ylanilino)-5-piperidin-1-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(2-fluoro-4-piperidin-4-ylanilino)-5-piperidin-1-ylpyrazine-2-carboxamide
PubChem CID138516087
Molecular FormulaC21H27FN6O
Molecular Weight398.49 g/mol
Exact Mass398.22
IUPAC Name3-(2-fluoro-4-piperidin-4-ylanilino)-5-piperidin-1-ylpyrazine-2-carboxamide
SMILESNC(=O)c1ncc(N2CCCCC2)nc1Nc1ccc(C2CCNCC2)cc1F
InChIInChI=1S/C21H27FN6O/c22-16-12-15(14-6-8-24-9-7-14)4-5-17(16)26-21-19(20(23)29)25-13-18(27-21)28-10-2-1-3-11-28/h4-5,12-14,24H,1-3,6-11H2,(H2,23,29)(H,26,27)
InChIKeyZVZXKMMVTPVFEO-UHFFFAOYSA-N
XLogP2.92
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide
CID 118114824
5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]piperidin-1-yl]-3-[2-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide
CID 145200985
3-[4-[1-(cyanomethyl)piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 129156525
3-(4-piperidin-4-ylanilino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide
CID 146558901
3-[4-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 129156495
4-cyclopropylbenzamide;3-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 145201308
5-[3-[(4-cyclopropyl-2-fluorobenzoyl)amino]piperidin-1-yl]-3-[(2-methyl-1,3-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 135361318
5-[3-[(4-cyclopropyl-2-fluorobenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 135362249
3-(4-cyclohexylanilino)-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118115170
ethane;4-ethoxybenzamide;3-[4-(1-methylpiperidin-4-yl)anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 144857937
5-[3-[(4-cyclopropyl-2-fluorobenzoyl)amino]piperidin-1-yl]-3-[(3-phenyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 135362148
4-[4-[[3-carbamoyl-6-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]piperidine-1-carboxylic acid
CID 146485007

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-piperidin-4-ylanilino)-5-piperidin-1-ylpyrazine-2-carboxamide?
The IUPAC name of 3-(2-fluoro-4-piperidin-4-ylanilino)-5-piperidin-1-ylpyrazine-2-carboxamide (CID 138516087) is 3-(2-fluoro-4-piperidin-4-ylanilino)-5-piperidin-1-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-(2-fluoro-4-piperidin-4-ylanilino)-5-piperidin-1-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-(2-fluoro-4-piperidin-4-ylanilino)-5-piperidin-1-ylpyrazine-2-carboxamide is NC(=O)c1ncc(N2CCCCC2)nc1Nc1ccc(C2CCNCC2)cc1F.
What is the InChIKey of 3-(2-fluoro-4-piperidin-4-ylanilino)-5-piperidin-1-ylpyrazine-2-carboxamide?
The InChIKey is ZVZXKMMVTPVFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN6O/c22-16-12-15(14-6-8-24-9-7-14)4-5-17(16)26-21-19(20(23)29)25-13-18(27-21)28-10-2-1-3-11-28/h4-5,12-14,24H,1-3,6-11H2,(H2,23,29)(H,26,27).
What are the key properties of 3-(2-fluoro-4-piperidin-4-ylanilino)-5-piperidin-1-ylpyrazine-2-carboxamide?
3-(2-fluoro-4-piperidin-4-ylanilino)-5-piperidin-1-ylpyrazine-2-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-piperidin-4-ylanilino)-5-piperidin-1-ylpyrazine-2-carboxamide is sourced from PubChem (CID 138516087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).