N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[3-[methyl(piperidin-4-yl)amino]-2-pyridinyl]formamide

C22H24F2N6O2 — CID 155730142

IUPACN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[3-[methyl(piperidin-4-yl)amino]-2-pyridinyl]formamide
SMILESCN(c1cccnc1N(C=O)Cc1ccc(-c2nnc(C(F)F)o2)cc1)C1CCNCC1
InChIInChI=1S/C22H24F2N6O2/c1-29(17-8-11-25-12-9-17)18-3-2-10-26-20(18)30(14-31)13-15-4-6-16(7-5-15)21-27-28-22(32-21)19(23)24/h2-7,10,14,17,19,25H,8-9,11-13H2,1H3
InChIKeyATTUPTHHSQUJDP-UHFFFAOYSA-N
MW442.47 g/mol
LogP3.42
Rot. Bonds8

About N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[3-[methyl(piperidin-4-yl)amino]-2-pyridinyl]formamide

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[3-[methyl(piperidin-4-yl)amino]-2-pyridinyl]formamide (PubChem CID 155730142) has the molecular formula C22H24F2N6O2 and a molecular weight of 442.47 g/mol. Its IUPAC name is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[3-[methyl(piperidin-4-yl)amino]-2-pyridinyl]formamide.

Molecular Properties

Compound NameN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[3-[methyl(piperidin-4-yl)amino]-2-pyridinyl]formamide
PubChem CID155730142
Molecular FormulaC22H24F2N6O2
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC NameN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[3-[methyl(piperidin-4-yl)amino]-2-pyridinyl]formamide
SMILESCN(c1cccnc1N(C=O)Cc1ccc(-c2nnc(C(F)F)o2)cc1)C1CCNCC1
InChIInChI=1S/C22H24F2N6O2/c1-29(17-8-11-25-12-9-17)18-3-2-10-26-20(18)30(14-31)13-15-4-6-16(7-5-15)21-27-28-22(32-21)19(23)24/h2-7,10,14,17,19,25H,8-9,11-13H2,1H3
InChIKeyATTUPTHHSQUJDP-UHFFFAOYSA-N
XLogP3.42
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[3-[methyl(piperidin-4-yl)amino]-2-pyridinyl]formamide?
The IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[3-[methyl(piperidin-4-yl)amino]-2-pyridinyl]formamide (CID 155730142) is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[3-[methyl(piperidin-4-yl)amino]-2-pyridinyl]formamide.
What is the SMILES notation for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[3-[methyl(piperidin-4-yl)amino]-2-pyridinyl]formamide?
The canonical SMILES for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[3-[methyl(piperidin-4-yl)amino]-2-pyridinyl]formamide is CN(c1cccnc1N(C=O)Cc1ccc(-c2nnc(C(F)F)o2)cc1)C1CCNCC1.
What is the InChIKey of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[3-[methyl(piperidin-4-yl)amino]-2-pyridinyl]formamide?
The InChIKey is ATTUPTHHSQUJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N6O2/c1-29(17-8-11-25-12-9-17)18-3-2-10-26-20(18)30(14-31)13-15-4-6-16(7-5-15)21-27-28-22(32-21)19(23)24/h2-7,10,14,17,19,25H,8-9,11-13H2,1H3.
What are the key properties of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[3-[methyl(piperidin-4-yl)amino]-2-pyridinyl]formamide?
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[3-[methyl(piperidin-4-yl)amino]-2-pyridinyl]formamide has a molecular weight of 442.47 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[3-[methyl(piperidin-4-yl)amino]-2-pyridinyl]formamide is sourced from PubChem (CID 155730142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).