N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide

C25H23N3O4 — CID 67980311

IUPACN-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(OCC2(c3ccccc3)CC2C(=O)Nc2ccc(C#N)cn2)cc1OC
InChIInChI=1S/C25H23N3O4/c1-30-21-10-9-19(12-22(21)31-2)32-16-25(18-6-4-3-5-7-18)13-20(25)24(29)28-23-11-8-17(14-26)15-27-23/h3-12,15,20H,13,16H2,1-2H3,(H,27,28,29)
InChIKeyKNGMAZMILYCGQO-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.95
Rot. Bonds8

About N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide

N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 67980311) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID67980311
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC NameN-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(OCC2(c3ccccc3)CC2C(=O)Nc2ccc(C#N)cn2)cc1OC
InChIInChI=1S/C25H23N3O4/c1-30-21-10-9-19(12-22(21)31-2)32-16-25(18-6-4-3-5-7-18)13-20(25)24(29)28-23-11-8-17(14-26)15-27-23/h3-12,15,20H,13,16H2,1-2H3,(H,27,28,29)
InChIKeyKNGMAZMILYCGQO-UHFFFAOYSA-N
XLogP3.95
TPSA93.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cis-(1R,2S)-N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide
CID 57388650
cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide
CID 67980666
N-(5-cyano-2-pyridinyl)-2-[(2,6-dimethyl-3-pyridinyl)oxymethyl]-2-phenylcyclopropane-1-carboxamide
CID 68058790
3,4,5-triethoxy-N-(4-methylpyridin-2-yl)benzamide
CID 649583
cis-(1R,2S)-2-(phenoxymethyl)-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide
CID 118716936
cis-(1R,2S)-2-(3,4-dimethoxyphenyl)-2-(phenoxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide
CID 118716937
cis-(1R,2S)-2-[(4-methoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide
CID 118716938
cis-(1R,2S)-2-[[4-methoxy-3-(methoxymethyl)phenoxy]methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide
CID 118716940
cis-(1R,2S)-2-[[3-methoxy-4-(methoxymethyl)phenoxy]methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide
CID 118716941
cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 118716942
cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 118716943
cis-(1R,2S)-N-(4-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide
CID 118716948

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide (CID 67980311) is N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide is COc1ccc(OCC2(c3ccccc3)CC2C(=O)Nc2ccc(C#N)cn2)cc1OC.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is KNGMAZMILYCGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-30-21-10-9-19(12-22(21)31-2)32-16-25(18-6-4-3-5-7-18)13-20(25)24(29)28-23-11-8-17(14-26)15-27-23/h3-12,15,20H,13,16H2,1-2H3,(H,27,28,29).
What are the key properties of N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide?
N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 67980311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).