N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide

C23H25N5O3 — CID 53103891

IUPACN-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCOc1ccc(-c2cc(N3CCN(C(=O)Nc4ccccc4OC)CC3)ncn2)cc1
InChIInChI=1S/C23H25N5O3/c1-30-18-9-7-17(8-10-18)20-15-22(25-16-24-20)27-11-13-28(14-12-27)23(29)26-19-5-3-4-6-21(19)31-2/h3-10,15-16H,11-14H2,1-2H3,(H,26,29)
InChIKeyFBRDQHUKYRLDAY-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.51
Rot. Bonds5

About N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide

N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 53103891) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
PubChem CID53103891
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCOc1ccc(-c2cc(N3CCN(C(=O)Nc4ccccc4OC)CC3)ncn2)cc1
InChIInChI=1S/C23H25N5O3/c1-30-18-9-7-17(8-10-18)20-15-22(25-16-24-20)27-11-13-28(14-12-27)23(29)26-19-5-3-4-6-21(19)31-2/h3-10,15-16H,11-14H2,1-2H3,(H,26,29)
InChIKeyFBRDQHUKYRLDAY-UHFFFAOYSA-N
XLogP3.51
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53103898
N-(3,5-dimethylphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53010087
2-(2-methoxyphenoxy)-1-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 90516931
N-(2-chlorophenyl)-4-[6-(3,4-dimethoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53104072
N-(2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carboxamide
CID 1462091
N-(2,3-dimethylphenyl)-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53103954
N-(2-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide
CID 122348977
(2-anilinophenyl)-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90517050
4-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113113504
2-(2-chlorophenoxy)-1-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 90516926
[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 90516875
1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea
CID 122262605

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide (CID 53103891) is N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide is COc1ccc(-c2cc(N3CCN(C(=O)Nc4ccccc4OC)CC3)ncn2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide?
The InChIKey is FBRDQHUKYRLDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-30-18-9-7-17(8-10-18)20-15-22(25-16-24-20)27-11-13-28(14-12-27)23(29)26-19-5-3-4-6-21(19)31-2/h3-10,15-16H,11-14H2,1-2H3,(H,26,29).
What are the key properties of N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide?
N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 53103891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).