N-(3-chloro-2-methylphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide

C24H25ClN4O2 — CID 90519790

IUPACN-(3-chloro-2-methylphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2cc(N3CCCC(C(=O)Nc4cccc(Cl)c4C)C3)ncn2)cc1
InChIInChI=1S/C24H25ClN4O2/c1-16-20(25)6-3-7-21(16)28-24(30)18-5-4-12-29(14-18)23-13-22(26-15-27-23)17-8-10-19(31-2)11-9-17/h3,6-11,13,15,18H,4-5,12,14H2,1-2H3,(H,28,30)
InChIKeyWFZMLKOFIJUBFW-UHFFFAOYSA-N
MW436.94 g/mol
LogP4.97
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide

N-(3-chloro-2-methylphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 90519790) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID90519790
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC NameN-(3-chloro-2-methylphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2cc(N3CCCC(C(=O)Nc4cccc(Cl)c4C)C3)ncn2)cc1
InChIInChI=1S/C24H25ClN4O2/c1-16-20(25)6-3-7-21(16)28-24(30)18-5-4-12-29(14-18)23-13-22(26-15-27-23)17-8-10-19(31-2)11-9-17/h3,6-11,13,15,18H,4-5,12,14H2,1-2H3,(H,28,30)
InChIKeyWFZMLKOFIJUBFW-UHFFFAOYSA-N
XLogP4.97
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519768
N-(4-anilinophenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519895
N-cyclopropyl-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519842
N-(3,4-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519727
N-(5-chloro-2-methoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519286
N-[4-(dimethylamino)phenyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519788
N-(2,5-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519275
N-(2,4-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519285
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519851
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 90519752
N-(9H-fluoren-2-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519855
N-[2-(4-methoxyphenyl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519783

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide (CID 90519790) is N-(3-chloro-2-methylphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide is COc1ccc(-c2cc(N3CCCC(C(=O)Nc4cccc(Cl)c4C)C3)ncn2)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is WFZMLKOFIJUBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c1-16-20(25)6-3-7-21(16)28-24(30)18-5-4-12-29(14-18)23-13-22(26-15-27-23)17-8-10-19(31-2)11-9-17/h3,6-11,13,15,18H,4-5,12,14H2,1-2H3,(H,28,30).
What are the key properties of N-(3-chloro-2-methylphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
N-(3-chloro-2-methylphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 436.94 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 90519790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).