N-methyl-1-[[1-methyl-6-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxamide

C24H26F3N3O2 — CID 176999909

IUPACN-methyl-1-[[1-methyl-6-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxamide
SMILESCNC(=O)C1CN(CC2=C(C)c3ccc(OCc4cncc(C(F)(F)F)c4)cc3CC2)C1
InChIInChI=1S/C24H26F3N3O2/c1-15-18(11-30-12-19(13-30)23(31)28-2)4-3-17-8-21(5-6-22(15)17)32-14-16-7-20(10-29-9-16)24(25,26)27/h5-10,19H,3-4,11-14H2,1-2H3,(H,28,31)
InChIKeyBICSAPGGMYGNDM-UHFFFAOYSA-N
MW445.49 g/mol
LogP4.08
Rot. Bonds6

About N-methyl-1-[[1-methyl-6-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxamide

N-methyl-1-[[1-methyl-6-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxamide (PubChem CID 176999909) has the molecular formula C24H26F3N3O2 and a molecular weight of 445.49 g/mol. Its IUPAC name is N-methyl-1-[[1-methyl-6-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[[1-methyl-6-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxamide
PubChem CID176999909
Molecular FormulaC24H26F3N3O2
Molecular Weight445.49 g/mol
Exact Mass445.20
IUPAC NameN-methyl-1-[[1-methyl-6-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxamide
SMILESCNC(=O)C1CN(CC2=C(C)c3ccc(OCc4cncc(C(F)(F)F)c4)cc3CC2)C1
InChIInChI=1S/C24H26F3N3O2/c1-15-18(11-30-12-19(13-30)23(31)28-2)4-3-17-8-21(5-6-22(15)17)32-14-16-7-20(10-29-9-16)24(25,26)27/h5-10,19H,3-4,11-14H2,1-2H3,(H,28,31)
InChIKeyBICSAPGGMYGNDM-UHFFFAOYSA-N
XLogP4.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[[1-methyl-6-[(6-propan-2-yl-3-pyridinyl)methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxamide
CID 176999819
1-[[6-[[3-cyano-4-(trifluoromethyl)phenyl]methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]-N-methylazetidine-3-carboxamide
CID 176999810
1-[[1-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
CID 176999694
1-[[6-[[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
CID 176999795
1-[[6-[[3-chloro-4-(2-methylpropyl)phenyl]methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]-N-methylazetidine-3-carboxamide
CID 176999671
1-[[6-[(4-tert-butylphenyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
CID 23121630
1-[[6-[(3-cyano-4-propan-2-yloxyphenyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]-N-methylazetidine-3-carboxamide
CID 176999697
1-[[1-methyl-6-[3-[4-(trifluoromethyl)phenyl]propoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid;hydrochloride
CID 66853403
1-[[6-[[4-cyano-5-(trifluoromethyl)-2-pyridinyl]methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
CID 176999848
1-[[6-[[4-(4-fluorophenyl)phenyl]methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
CID 23121597
1-[[6-[[3-cyano-4-(trifluoromethyl)phenyl]methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
CID 176999728
1-[[6-[(2-methoxy-6-propyl-4-pyridinyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
CID 176999817

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[1-methyl-6-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxamide?
The IUPAC name of N-methyl-1-[[1-methyl-6-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxamide (CID 176999909) is N-methyl-1-[[1-methyl-6-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-[[1-methyl-6-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxamide?
The canonical SMILES for N-methyl-1-[[1-methyl-6-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxamide is CNC(=O)C1CN(CC2=C(C)c3ccc(OCc4cncc(C(F)(F)F)c4)cc3CC2)C1.
What is the InChIKey of N-methyl-1-[[1-methyl-6-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxamide?
The InChIKey is BICSAPGGMYGNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O2/c1-15-18(11-30-12-19(13-30)23(31)28-2)4-3-17-8-21(5-6-22(15)17)32-14-16-7-20(10-29-9-16)24(25,26)27/h5-10,19H,3-4,11-14H2,1-2H3,(H,28,31).
What are the key properties of N-methyl-1-[[1-methyl-6-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxamide?
N-methyl-1-[[1-methyl-6-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxamide has a molecular weight of 445.49 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[1-methyl-6-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxamide is sourced from PubChem (CID 176999909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).