N-[(2-chlorophenyl)methyl]-4-[3-(dimethylamino)phenoxy]pyrimidine-5-carboxamide

C20H19ClN4O2 — CID 10293303

IUPACN-[(2-chlorophenyl)methyl]-4-[3-(dimethylamino)phenoxy]pyrimidine-5-carboxamide
SMILESCN(C)c1cccc(Oc2ncncc2C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C20H19ClN4O2/c1-25(2)15-7-5-8-16(10-15)27-20-17(12-22-13-24-20)19(26)23-11-14-6-3-4-9-18(14)21/h3-10,12-13H,11H2,1-2H3,(H,23,26)
InChIKeyZYELZBQWOWLLKB-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.92
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-4-[3-(dimethylamino)phenoxy]pyrimidine-5-carboxamide

N-[(2-chlorophenyl)methyl]-4-[3-(dimethylamino)phenoxy]pyrimidine-5-carboxamide (PubChem CID 10293303) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-[3-(dimethylamino)phenoxy]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-[3-(dimethylamino)phenoxy]pyrimidine-5-carboxamide
PubChem CID10293303
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-[(2-chlorophenyl)methyl]-4-[3-(dimethylamino)phenoxy]pyrimidine-5-carboxamide
SMILESCN(C)c1cccc(Oc2ncncc2C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C20H19ClN4O2/c1-25(2)15-7-5-8-16(10-15)27-20-17(12-22-13-24-20)19(26)23-11-14-6-3-4-9-18(14)21/h3-10,12-13H,11H2,1-2H3,(H,23,26)
InChIKeyZYELZBQWOWLLKB-UHFFFAOYSA-N
XLogP3.92
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3-difluorophenyl)methyl]-4-(4-fluorophenoxy)pyrimidine-5-carboxamide
CID 10155362
N-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81234516
4-(3-acetylphenoxy)-N-[[4-(2-hydroxybutan-2-yl)phenyl]methyl]pyrimidine-5-carboxamide
CID 142079556
N-[(2-chlorophenyl)methyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105067967
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 51130329
N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide
CID 2971835
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
N-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2726855
N-[(2-chlorophenyl)methyl]-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500156
N-[(2-chlorophenyl)methyl]-2-(2,4-difluorophenoxy)pyridine-3-carboxamide
CID 22612146
N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 110851434
N-[(2-chlorophenyl)methyl]-6-(dimethylamino)pyridine-2-carboxamide
CID 84575011

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-[3-(dimethylamino)phenoxy]pyrimidine-5-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-[3-(dimethylamino)phenoxy]pyrimidine-5-carboxamide (CID 10293303) is N-[(2-chlorophenyl)methyl]-4-[3-(dimethylamino)phenoxy]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-[3-(dimethylamino)phenoxy]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-[3-(dimethylamino)phenoxy]pyrimidine-5-carboxamide is CN(C)c1cccc(Oc2ncncc2C(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-[3-(dimethylamino)phenoxy]pyrimidine-5-carboxamide?
The InChIKey is ZYELZBQWOWLLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-25(2)15-7-5-8-16(10-15)27-20-17(12-22-13-24-20)19(26)23-11-14-6-3-4-9-18(14)21/h3-10,12-13H,11H2,1-2H3,(H,23,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-[3-(dimethylamino)phenoxy]pyrimidine-5-carboxamide?
N-[(2-chlorophenyl)methyl]-4-[3-(dimethylamino)phenoxy]pyrimidine-5-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-[3-(dimethylamino)phenoxy]pyrimidine-5-carboxamide is sourced from PubChem (CID 10293303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).