N-[(2,3-dimethoxyphenyl)methyl]-4-(2-piperidin-1-ylpyrimidin-4-yl)benzamide

C25H28N4O3 — CID 53148456

IUPACN-[(2,3-dimethoxyphenyl)methyl]-4-(2-piperidin-1-ylpyrimidin-4-yl)benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3ccnc(N4CCCCC4)n3)cc2)c1OC
InChIInChI=1S/C25H28N4O3/c1-31-22-8-6-7-20(23(22)32-2)17-27-24(30)19-11-9-18(10-12-19)21-13-14-26-25(28-21)29-15-4-3-5-16-29/h6-14H,3-5,15-17H2,1-2H3,(H,27,30)
InChIKeyQHPBHGYUVWKBLC-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.08
Rot. Bonds7

About N-[(2,3-dimethoxyphenyl)methyl]-4-(2-piperidin-1-ylpyrimidin-4-yl)benzamide

N-[(2,3-dimethoxyphenyl)methyl]-4-(2-piperidin-1-ylpyrimidin-4-yl)benzamide (PubChem CID 53148456) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-4-(2-piperidin-1-ylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-4-(2-piperidin-1-ylpyrimidin-4-yl)benzamide
PubChem CID53148456
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-4-(2-piperidin-1-ylpyrimidin-4-yl)benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3ccnc(N4CCCCC4)n3)cc2)c1OC
InChIInChI=1S/C25H28N4O3/c1-31-22-8-6-7-20(23(22)32-2)17-27-24(30)19-11-9-18(10-12-19)21-13-14-26-25(28-21)29-15-4-3-5-16-29/h6-14H,3-5,15-17H2,1-2H3,(H,27,30)
InChIKeyQHPBHGYUVWKBLC-UHFFFAOYSA-N
XLogP4.08
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149720
N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 95096718
N-[(2,3-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 46590512
4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967226
N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 138994491
3-methoxy-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967105
N-[(2,3-dimethoxyphenyl)methyl]-2,3-diethylquinoxaline-6-carboxamide
CID 22588087
4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109047377
4-(2-piperidin-1-ylpyrimidin-4-yl)-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 95096725
4-methoxy-N-(quinolin-4-ylmethyl)benzamide
CID 110734220
N-[(2,3-dimethoxyphenyl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide
CID 53149665
N-(2,3-dimethoxyphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122343981

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-4-(2-piperidin-1-ylpyrimidin-4-yl)benzamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-4-(2-piperidin-1-ylpyrimidin-4-yl)benzamide (CID 53148456) is N-[(2,3-dimethoxyphenyl)methyl]-4-(2-piperidin-1-ylpyrimidin-4-yl)benzamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-4-(2-piperidin-1-ylpyrimidin-4-yl)benzamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-4-(2-piperidin-1-ylpyrimidin-4-yl)benzamide is COc1cccc(CNC(=O)c2ccc(-c3ccnc(N4CCCCC4)n3)cc2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-4-(2-piperidin-1-ylpyrimidin-4-yl)benzamide?
The InChIKey is QHPBHGYUVWKBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-31-22-8-6-7-20(23(22)32-2)17-27-24(30)19-11-9-18(10-12-19)21-13-14-26-25(28-21)29-15-4-3-5-16-29/h6-14H,3-5,15-17H2,1-2H3,(H,27,30).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-4-(2-piperidin-1-ylpyrimidin-4-yl)benzamide?
N-[(2,3-dimethoxyphenyl)methyl]-4-(2-piperidin-1-ylpyrimidin-4-yl)benzamide has a molecular weight of 432.52 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-4-(2-piperidin-1-ylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 53148456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).