6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;6-fluoro-4-methylpyridin-2-amine;4-methyl-6-[(2R)-2-methylmorpholin-4-yl]pyridin-2-amine;(2R)-2-methylmorpholine

C52H73F5N12O3 — CID 163588186

IUPAC6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;6-fluoro-4-methylpyridin-2-amine;4-methyl-6-[(2R)-2-methylmorpholin-4-yl]pyridin-2-amine;(2R)-2-methylmorpholine
SMILESCOc1ccc(CNc2cc(C)cc(N3CCC(F)(F)CC3)n2)cc1.C[C@@H]1CNCCO1.Cc1cc(N)nc(F)c1.Cc1cc(N)nc(N2CCC(F)(F)CC2)c1.Cc1cc(N)nc(N2CCO[C@H](C)C2)c1
InChIInChI=1S/C19H23F2N3O.C11H15F2N3.C11H17N3O.C6H7FN2.C5H11NO/c1-14-11-17(22-13-15-3-5-16(25-2)6-4-15)23-18(12-14)24-9-7-19(20,21)8-10-24;1-8-6-9(14)15-10(7-8)16-4-2-11(12,13)3-5-16;1-8-5-10(12)13-11(6-8)14-3-4-15-9(2)7-14;1-4-2-5(7)9-6(8)3-4;1-5-4-6-2-3-7-5/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,23);6-7H,2-5H2,1H3,(H2,14,15);5-6,9H,3-4,7H2,1-2H3,(H2,12,13);2-3H,1H3,(H2,8,9);5-6H,2-4H2,1H3/t;;9-;;5-/m..1.1/s1
InChIKeyGNGYVUCQYZBMNL-KFMRFUNOSA-N
MW1009.23 g/mol
LogP8.76
Rot. Bonds7

About 6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;6-fluoro-4-methylpyridin-2-amine;4-methyl-6-[(2R)-2-methylmorpholin-4-yl]pyridin-2-amine;(2R)-2-methylmorpholine

6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;6-fluoro-4-methylpyridin-2-amine;4-methyl-6-[(2R)-2-methylmorpholin-4-yl]pyridin-2-amine;(2R)-2-methylmorpholine (PubChem CID 163588186) has the molecular formula C52H73F5N12O3 and a molecular weight of 1009.23 g/mol. Its IUPAC name is 6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;6-fluoro-4-methylpyridin-2-amine;4-methyl-6-[(2R)-2-methylmorpholin-4-yl]pyridin-2-amine;(2R)-2-methylmorpholine.

Molecular Properties

Compound Name6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;6-fluoro-4-methylpyridin-2-amine;4-methyl-6-[(2R)-2-methylmorpholin-4-yl]pyridin-2-amine;(2R)-2-methylmorpholine
PubChem CID163588186
Molecular FormulaC52H73F5N12O3
Molecular Weight1009.23 g/mol
Exact Mass1008.58
IUPAC Name6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;6-fluoro-4-methylpyridin-2-amine;4-methyl-6-[(2R)-2-methylmorpholin-4-yl]pyridin-2-amine;(2R)-2-methylmorpholine
SMILESCOc1ccc(CNc2cc(C)cc(N3CCC(F)(F)CC3)n2)cc1.C[C@@H]1CNCCO1.Cc1cc(N)nc(F)c1.Cc1cc(N)nc(N2CCC(F)(F)CC2)c1.Cc1cc(N)nc(N2CCO[C@H](C)C2)c1
InChIInChI=1S/C19H23F2N3O.C11H15F2N3.C11H17N3O.C6H7FN2.C5H11NO/c1-14-11-17(22-13-15-3-5-16(25-2)6-4-15)23-18(12-14)24-9-7-19(20,21)8-10-24;1-8-6-9(14)15-10(7-8)16-4-2-11(12,13)3-5-16;1-8-5-10(12)13-11(6-8)14-3-4-15-9(2)7-14;1-4-2-5(7)9-6(8)3-4;1-5-4-6-2-3-7-5/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,23);6-7H,2-5H2,1H3,(H2,14,15);5-6,9H,3-4,7H2,1-2H3,(H2,12,13);2-3H,1H3,(H2,8,9);5-6H,2-4H2,1H3/t;;9-;;5-/m..1.1/s1
InChIKeyGNGYVUCQYZBMNL-KFMRFUNOSA-N
XLogP8.76
TPSA191.09 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001009.23
LogP ≤ 58.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;6-fluoro-4-methylpyridin-2-amine;4-methyl-6-[(2R)-2-methylmorpholin-4-yl]pyridin-2-amine;(2R)-2-methylmorpholine with MolForge

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Related Compounds

US9908897, Example 37
CID 118960379
US9908897, Example 39
CID 118960458
US9908897, Example 40
CID 118960459
4-[4-[4-(Trifluoromethoxy)phenyl]-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 57761288
4-[[4-[4-[[4-(5-Fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine
CID 57986239
4-(2-(5-Fluoro-6-methoxypyridin-3-ylamino)-5-(morpholinomethyl)pyridin-3-yl)-n,n-bis(4-methoxybenzyl)-6-methyl-1,3,5-triazin-2-amine
CID 66611662
9-[6-(3-Fluorophenoxy)-4-(trifluoromethyl)pyridin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane;hydrochloride
CID 118960383
2-(3-Fluorophenoxy)-6-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile;hydrochloride
CID 118960460
6-(3-Fluorophenoxy)-2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile;hydrochloride
CID 118960555
N-[(4-methoxyphenyl)methyl]-6-[(2R)-2-methylmorpholin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 153625298
6-(4,4-Difluoropiperidin-1-yl)-N-(4-methoxybenzyl)-4-methylpyridin-2-amine
CID 153625305
N-[(4-methoxyphenyl)methyl]-6-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 154942877

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;6-fluoro-4-methylpyridin-2-amine;4-methyl-6-[(2R)-2-methylmorpholin-4-yl]pyridin-2-amine;(2R)-2-methylmorpholine?
The IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;6-fluoro-4-methylpyridin-2-amine;4-methyl-6-[(2R)-2-methylmorpholin-4-yl]pyridin-2-amine;(2R)-2-methylmorpholine (CID 163588186) is 6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;6-fluoro-4-methylpyridin-2-amine;4-methyl-6-[(2R)-2-methylmorpholin-4-yl]pyridin-2-amine;(2R)-2-methylmorpholine.
What is the SMILES notation for 6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;6-fluoro-4-methylpyridin-2-amine;4-methyl-6-[(2R)-2-methylmorpholin-4-yl]pyridin-2-amine;(2R)-2-methylmorpholine?
The canonical SMILES for 6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;6-fluoro-4-methylpyridin-2-amine;4-methyl-6-[(2R)-2-methylmorpholin-4-yl]pyridin-2-amine;(2R)-2-methylmorpholine is COc1ccc(CNc2cc(C)cc(N3CCC(F)(F)CC3)n2)cc1.C[C@@H]1CNCCO1.Cc1cc(N)nc(F)c1.Cc1cc(N)nc(N2CCC(F)(F)CC2)c1.Cc1cc(N)nc(N2CCO[C@H](C)C2)c1.
What is the InChIKey of 6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;6-fluoro-4-methylpyridin-2-amine;4-methyl-6-[(2R)-2-methylmorpholin-4-yl]pyridin-2-amine;(2R)-2-methylmorpholine?
The InChIKey is GNGYVUCQYZBMNL-KFMRFUNOSA-N. The full InChI is InChI=1S/C19H23F2N3O.C11H15F2N3.C11H17N3O.C6H7FN2.C5H11NO/c1-14-11-17(22-13-15-3-5-16(25-2)6-4-15)23-18(12-14)24-9-7-19(20,21)8-10-24;1-8-6-9(14)15-10(7-8)16-4-2-11(12,13)3-5-16;1-8-5-10(12)13-11(6-8)14-3-4-15-9(2)7-14;1-4-2-5(7)9-6(8)3-4;1-5-4-6-2-3-7-5/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,23);6-7H,2-5H2,1H3,(H2,14,15);5-6,9H,3-4,7H2,1-2H3,(H2,12,13);2-3H,1H3,(H2,8,9);5-6H,2-4H2,1H3/t;;9-;;5-/m..1.1/s1.
What are the key properties of 6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;6-fluoro-4-methylpyridin-2-amine;4-methyl-6-[(2R)-2-methylmorpholin-4-yl]pyridin-2-amine;(2R)-2-methylmorpholine?
6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;6-fluoro-4-methylpyridin-2-amine;4-methyl-6-[(2R)-2-methylmorpholin-4-yl]pyridin-2-amine;(2R)-2-methylmorpholine has a molecular weight of 1009.23 g/mol, XLogP of 8.76, 7 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;6-fluoro-4-methylpyridin-2-amine;4-methyl-6-[(2R)-2-methylmorpholin-4-yl]pyridin-2-amine;(2R)-2-methylmorpholine is sourced from PubChem (CID 163588186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).