N,N-dimethyl-2-(1-methylpyrazol-4-yl)-5-phenylmethoxy-4-(2-pyridin-3-ylacetyl)benzamide

C27H26N4O3 — CID 146940797

IUPACN,N-dimethyl-2-(1-methylpyrazol-4-yl)-5-phenylmethoxy-4-(2-pyridin-3-ylacetyl)benzamide
SMILESCN(C)C(=O)c1cc(OCc2ccccc2)c(C(=O)Cc2cccnc2)cc1-c1cnn(C)c1
InChIInChI=1S/C27H26N4O3/c1-30(2)27(33)23-14-26(34-18-19-8-5-4-6-9-19)24(13-22(23)21-16-29-31(3)17-21)25(32)12-20-10-7-11-28-15-20/h4-11,13-17H,12,18H2,1-3H3
InChIKeyAGVGAPQYYGTVAJ-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.19
Rot. Bonds8

About N,N-dimethyl-2-(1-methylpyrazol-4-yl)-5-phenylmethoxy-4-(2-pyridin-3-ylacetyl)benzamide

N,N-dimethyl-2-(1-methylpyrazol-4-yl)-5-phenylmethoxy-4-(2-pyridin-3-ylacetyl)benzamide (PubChem CID 146940797) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is N,N-dimethyl-2-(1-methylpyrazol-4-yl)-5-phenylmethoxy-4-(2-pyridin-3-ylacetyl)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(1-methylpyrazol-4-yl)-5-phenylmethoxy-4-(2-pyridin-3-ylacetyl)benzamide
PubChem CID146940797
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC NameN,N-dimethyl-2-(1-methylpyrazol-4-yl)-5-phenylmethoxy-4-(2-pyridin-3-ylacetyl)benzamide
SMILESCN(C)C(=O)c1cc(OCc2ccccc2)c(C(=O)Cc2cccnc2)cc1-c1cnn(C)c1
InChIInChI=1S/C27H26N4O3/c1-30(2)27(33)23-14-26(34-18-19-8-5-4-6-9-19)24(13-22(23)21-16-29-31(3)17-21)25(32)12-20-10-7-11-28-15-20/h4-11,13-17H,12,18H2,1-3H3
InChIKeyAGVGAPQYYGTVAJ-UHFFFAOYSA-N
XLogP4.19
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(dimethylcarbamoyl)-5-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzoic acid
CID 66611962
benzyl 4-(dimethylcarbamoyl)-5-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzoate
CID 66611924
1-[5-methyl-4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridazin-4-ylethanone
CID 160947499
2-(4-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone
CID 159458448
1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone
CID 157130590
5-(1-methylpyrazol-4-yl)-4-(morpholine-4-carbonyl)-2-phenylmethoxybenzoic acid
CID 66611117
2-(3-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone
CID 161153519
3-(1-methylpyrazol-4-yl)-4-phenylmethoxybenzenethiol
CID 167225778
1-[2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-2-pyridin-3-ylethanone
CID 158832739
N-(2,6-dimethylphenyl)-4-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzamide
CID 135143780
methyl 2-phenyl-4-(pyridin-3-ylmethoxy)benzoate
CID 10805572
2-phenylmethoxy-4-pyridin-3-ylbenzoic acid
CID 66989978

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1-methylpyrazol-4-yl)-5-phenylmethoxy-4-(2-pyridin-3-ylacetyl)benzamide?
The IUPAC name of N,N-dimethyl-2-(1-methylpyrazol-4-yl)-5-phenylmethoxy-4-(2-pyridin-3-ylacetyl)benzamide (CID 146940797) is N,N-dimethyl-2-(1-methylpyrazol-4-yl)-5-phenylmethoxy-4-(2-pyridin-3-ylacetyl)benzamide.
What is the SMILES notation for N,N-dimethyl-2-(1-methylpyrazol-4-yl)-5-phenylmethoxy-4-(2-pyridin-3-ylacetyl)benzamide?
The canonical SMILES for N,N-dimethyl-2-(1-methylpyrazol-4-yl)-5-phenylmethoxy-4-(2-pyridin-3-ylacetyl)benzamide is CN(C)C(=O)c1cc(OCc2ccccc2)c(C(=O)Cc2cccnc2)cc1-c1cnn(C)c1.
What is the InChIKey of N,N-dimethyl-2-(1-methylpyrazol-4-yl)-5-phenylmethoxy-4-(2-pyridin-3-ylacetyl)benzamide?
The InChIKey is AGVGAPQYYGTVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-30(2)27(33)23-14-26(34-18-19-8-5-4-6-9-19)24(13-22(23)21-16-29-31(3)17-21)25(32)12-20-10-7-11-28-15-20/h4-11,13-17H,12,18H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(1-methylpyrazol-4-yl)-5-phenylmethoxy-4-(2-pyridin-3-ylacetyl)benzamide?
N,N-dimethyl-2-(1-methylpyrazol-4-yl)-5-phenylmethoxy-4-(2-pyridin-3-ylacetyl)benzamide has a molecular weight of 454.53 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1-methylpyrazol-4-yl)-5-phenylmethoxy-4-(2-pyridin-3-ylacetyl)benzamide is sourced from PubChem (CID 146940797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).