N-methyl-4-(pyridin-3-ylmethoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide

C24H23N5O2 — CID 46587409

IUPACN-methyl-4-(pyridin-3-ylmethoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
SMILESCC(c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C24H23N5O2/c1-18(20-5-9-22(10-6-20)29-17-26-16-27-29)28(2)24(30)21-7-11-23(12-8-21)31-15-19-4-3-13-25-14-19/h3-14,16-18H,15H2,1-2H3
InChIKeyQDRONOKYHDDRLU-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.07
Rot. Bonds7

About N-methyl-4-(pyridin-3-ylmethoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide

N-methyl-4-(pyridin-3-ylmethoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide (PubChem CID 46587409) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-methyl-4-(pyridin-3-ylmethoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-(pyridin-3-ylmethoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
PubChem CID46587409
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-methyl-4-(pyridin-3-ylmethoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
SMILESCC(c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C24H23N5O2/c1-18(20-5-9-22(10-6-20)29-17-26-16-27-29)28(2)24(30)21-7-11-23(12-8-21)31-15-19-4-3-13-25-14-19/h3-14,16-18H,15H2,1-2H3
InChIKeyQDRONOKYHDDRLU-UHFFFAOYSA-N
XLogP4.07
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-phenoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 55383558
N-methyl-3-pyridin-3-yl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 40717649
N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 9471169
N,4-dimethyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9470834
N-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 24616361
methyl 4-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]benzoate
CID 9471114
4-N-methyl-4-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzene-1,4-dicarboxamide
CID 46613787
3-methoxy-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 17461750
4-cyano-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 17419687
N-methyl-4-(methylsulfonylmethyl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9471187
N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazine-2-carboxamide
CID 51201655
4-[(carbamoylamino)methyl]-N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 31744960

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(pyridin-3-ylmethoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
The IUPAC name of N-methyl-4-(pyridin-3-ylmethoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide (CID 46587409) is N-methyl-4-(pyridin-3-ylmethoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide.
What is the SMILES notation for N-methyl-4-(pyridin-3-ylmethoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
The canonical SMILES for N-methyl-4-(pyridin-3-ylmethoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide is CC(c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(OCc2cccnc2)cc1.
What is the InChIKey of N-methyl-4-(pyridin-3-ylmethoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
The InChIKey is QDRONOKYHDDRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-18(20-5-9-22(10-6-20)29-17-26-16-27-29)28(2)24(30)21-7-11-23(12-8-21)31-15-19-4-3-13-25-14-19/h3-14,16-18H,15H2,1-2H3.
What are the key properties of N-methyl-4-(pyridin-3-ylmethoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
N-methyl-4-(pyridin-3-ylmethoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide has a molecular weight of 413.48 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(pyridin-3-ylmethoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 46587409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).