N-[4-(2-cyanopropan-2-yl)-3-pyridin-4-ylphenyl]-3,4-dimethoxybenzamide

C24H23N3O3 — CID 67546787

IUPACN-[4-(2-cyanopropan-2-yl)-3-pyridin-4-ylphenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)c(-c3ccncc3)c2)cc1OC
InChIInChI=1S/C24H23N3O3/c1-24(2,15-25)20-7-6-18(14-19(20)16-9-11-26-12-10-16)27-23(28)17-5-8-21(29-3)22(13-17)30-4/h5-14H,1-4H3,(H,27,28)
InChIKeyYZKLITYGLSZONJ-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.82
Rot. Bonds6

About N-[4-(2-cyanopropan-2-yl)-3-pyridin-4-ylphenyl]-3,4-dimethoxybenzamide

N-[4-(2-cyanopropan-2-yl)-3-pyridin-4-ylphenyl]-3,4-dimethoxybenzamide (PubChem CID 67546787) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[4-(2-cyanopropan-2-yl)-3-pyridin-4-ylphenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(2-cyanopropan-2-yl)-3-pyridin-4-ylphenyl]-3,4-dimethoxybenzamide
PubChem CID67546787
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-[4-(2-cyanopropan-2-yl)-3-pyridin-4-ylphenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)c(-c3ccncc3)c2)cc1OC
InChIInChI=1S/C24H23N3O3/c1-24(2,15-25)20-7-6-18(14-19(20)16-9-11-26-12-10-16)27-23(28)17-5-8-21(29-3)22(13-17)30-4/h5-14H,1-4H3,(H,27,28)
InChIKeyYZKLITYGLSZONJ-UHFFFAOYSA-N
XLogP4.82
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-[4-(2-cyanopropan-2-yl)-3-(1-methylpyrazol-4-yl)anilino]-2-methyl-1-oxopropan-2-yl]phenyl]-3,4-dimethoxybenzamide
CID 69089958
N-[3-chloro-4-(2-cyanopropan-2-yl)phenyl]-3,4-dimethoxybenzamide;3,4-dimethoxybenzoyl chloride
CID 158174287
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3,4-dimethoxybenzamide;N-[4-(2-cyanopropan-2-yl)-3-ethylphenyl]-3,4-dimethoxybenzamide
CID 69044116
3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983135
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
CID 3461577
4-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109089181
4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide
CID 60589873
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980100
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyanopropan-2-yl)-3-pyridin-4-ylphenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-(2-cyanopropan-2-yl)-3-pyridin-4-ylphenyl]-3,4-dimethoxybenzamide (CID 67546787) is N-[4-(2-cyanopropan-2-yl)-3-pyridin-4-ylphenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-(2-cyanopropan-2-yl)-3-pyridin-4-ylphenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-(2-cyanopropan-2-yl)-3-pyridin-4-ylphenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)c(-c3ccncc3)c2)cc1OC.
What is the InChIKey of N-[4-(2-cyanopropan-2-yl)-3-pyridin-4-ylphenyl]-3,4-dimethoxybenzamide?
The InChIKey is YZKLITYGLSZONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-24(2,15-25)20-7-6-18(14-19(20)16-9-11-26-12-10-16)27-23(28)17-5-8-21(29-3)22(13-17)30-4/h5-14H,1-4H3,(H,27,28).
What are the key properties of N-[4-(2-cyanopropan-2-yl)-3-pyridin-4-ylphenyl]-3,4-dimethoxybenzamide?
N-[4-(2-cyanopropan-2-yl)-3-pyridin-4-ylphenyl]-3,4-dimethoxybenzamide has a molecular weight of 401.47 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyanopropan-2-yl)-3-pyridin-4-ylphenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 67546787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).