N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]pyridin-3-amine

C21H24F2N6 — CID 134589684

IUPACN-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]pyridin-3-amine
SMILESCc1ncc(CC2CCN(C)CC2)cc1Nc1ncn(-c2cc(F)cc(F)c2)n1
InChIInChI=1S/C21H24F2N6/c1-14-20(8-16(12-24-14)7-15-3-5-28(2)6-4-15)26-21-25-13-29(27-21)19-10-17(22)9-18(23)11-19/h8-13,15H,3-7H2,1-2H3,(H,26,27)
InChIKeyDDZACIYTIOKFTE-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.88
Rot. Bonds5

About N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]pyridin-3-amine

N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]pyridin-3-amine (PubChem CID 134589684) has the molecular formula C21H24F2N6 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]pyridin-3-amine
PubChem CID134589684
Molecular FormulaC21H24F2N6
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]pyridin-3-amine
SMILESCc1ncc(CC2CCN(C)CC2)cc1Nc1ncn(-c2cc(F)cc(F)c2)n1
InChIInChI=1S/C21H24F2N6/c1-14-20(8-16(12-24-14)7-15-3-5-28(2)6-4-15)26-21-25-13-29(27-21)19-10-17(22)9-18(23)11-19/h8-13,15H,3-7H2,1-2H3,(H,26,27)
InChIKeyDDZACIYTIOKFTE-UHFFFAOYSA-N
XLogP3.88
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methyl-3-pyridinyl]ethyl]oxetan-3-ol
CID 134589796
4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine
CID 155020969
2-methyl-5-(oxan-4-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 134589899
1-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-2-fluorophenyl]ethanol
CID 134590165
3-N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-1-N-(2-methoxyethyl)-5-methylbenzene-1,3-diamine
CID 142371440
N-[3-(2,2-difluoroethoxy)-5-methylphenyl]-1-(3,5-difluorophenyl)-1,2,4-triazol-3-amine
CID 134589532
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
2-methyl-5-[(3R)-oxolan-3-yl]-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 134589760
1-(3,5-difluorophenyl)-N-[4-methyl-3-(3-morpholin-4-ylazetidin-1-yl)phenyl]-1,2,4-triazol-3-amine
CID 134606156
2-methyl-5-(oxolan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 134589514
1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 121407190
1-N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-3-N-[(2S)-3-methoxybutan-2-yl]-5-methylbenzene-1,3-diamine
CID 134606261

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]pyridin-3-amine?
The IUPAC name of N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]pyridin-3-amine (CID 134589684) is N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]pyridin-3-amine.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]pyridin-3-amine?
The canonical SMILES for N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]pyridin-3-amine is Cc1ncc(CC2CCN(C)CC2)cc1Nc1ncn(-c2cc(F)cc(F)c2)n1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]pyridin-3-amine?
The InChIKey is DDZACIYTIOKFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N6/c1-14-20(8-16(12-24-14)7-15-3-5-28(2)6-4-15)26-21-25-13-29(27-21)19-10-17(22)9-18(23)11-19/h8-13,15H,3-7H2,1-2H3,(H,26,27).
What are the key properties of N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]pyridin-3-amine?
N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]pyridin-3-amine has a molecular weight of 398.46 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 134589684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).