N-(3-chloro-4-methoxyphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide

C20H20ClN5O2 — CID 109260720

IUPACN-(3-chloro-4-methoxyphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(N(C)CCc3ccncc3)nc2)cc1Cl
InChIInChI=1S/C20H20ClN5O2/c1-26(10-7-14-5-8-22-9-6-14)20-23-12-15(13-24-20)19(27)25-16-3-4-18(28-2)17(21)11-16/h3-6,8-9,11-13H,7,10H2,1-2H3,(H,25,27)
InChIKeyVPUPSKNMPBXXOH-UHFFFAOYSA-N
MW397.87 g/mol
LogP3.46
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide

N-(3-chloro-4-methoxyphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide (PubChem CID 109260720) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
PubChem CID109260720
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(N(C)CCc3ccncc3)nc2)cc1Cl
InChIInChI=1S/C20H20ClN5O2/c1-26(10-7-14-5-8-22-9-6-14)20-23-12-15(13-24-20)19(27)25-16-3-4-18(28-2)17(21)11-16/h3-6,8-9,11-13H,7,10H2,1-2H3,(H,25,27)
InChIKeyVPUPSKNMPBXXOH-UHFFFAOYSA-N
XLogP3.46
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109256823
2-(3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001550
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259105
N-(2,5-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109260693
N-(3-chloro-4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235708
N-[(4-chlorophenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109257591
N-(3-chloro-4-methoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109269318
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
N-(3-chloro-4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18150443
N-(4-methoxyphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237121
6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 62060820
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide (CID 109260720) is N-(3-chloro-4-methoxyphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc(N(C)CCc3ccncc3)nc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide?
The InChIKey is VPUPSKNMPBXXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c1-26(10-7-14-5-8-22-9-6-14)20-23-12-15(13-24-20)19(27)25-16-3-4-18(28-2)17(21)11-16/h3-6,8-9,11-13H,7,10H2,1-2H3,(H,25,27).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide?
N-(3-chloro-4-methoxyphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide has a molecular weight of 397.87 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109260720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).