1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone

C19H22F2N4O — CID 72550271

IUPAC1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cc(C)nc(Nc3cc(C(F)F)ccn3)c2)CC1
InChIInChI=1S/C19H22F2N4O/c1-12-9-16(14-4-7-25(8-5-14)13(2)26)11-18(23-12)24-17-10-15(19(20)21)3-6-22-17/h3,6,9-11,14,19H,4-5,7-8H2,1-2H3,(H,22,23,24)
InChIKeyHCVFSTLHWREZOH-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.19
Rot. Bonds4

About 1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone

1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 72550271) has the molecular formula C19H22F2N4O and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone
PubChem CID72550271
Molecular FormulaC19H22F2N4O
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cc(C)nc(Nc3cc(C(F)F)ccn3)c2)CC1
InChIInChI=1S/C19H22F2N4O/c1-12-9-16(14-4-7-25(8-5-14)13(2)26)11-18(23-12)24-17-10-15(19(20)21)3-6-22-17/h3,6,9-11,14,19H,4-5,7-8H2,1-2H3,(H,22,23,24)
InChIKeyHCVFSTLHWREZOH-UHFFFAOYSA-N
XLogP4.19
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone (CID 72550271) is 1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cc(C)nc(Nc3cc(C(F)F)ccn3)c2)CC1.
What is the InChIKey of 1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is HCVFSTLHWREZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O/c1-12-9-16(14-4-7-25(8-5-14)13(2)26)11-18(23-12)24-17-10-15(19(20)21)3-6-22-17/h3,6,9-11,14,19H,4-5,7-8H2,1-2H3,(H,22,23,24).
What are the key properties of 1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone?
1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 360.41 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 72550271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).