N-(3-chloro-2-morpholin-4-ylphenyl)-2,6-dimethylpyridine-3-carboxamide

C18H20ClN3O2 — CID 131960632

IUPACN-(3-chloro-2-morpholin-4-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)c(C)n1
InChIInChI=1S/C18H20ClN3O2/c1-12-6-7-14(13(2)20-12)18(23)21-16-5-3-4-15(19)17(16)22-8-10-24-11-9-22/h3-7H,8-11H2,1-2H3,(H,21,23)
InChIKeyOCUNHTFFUSYHHK-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.44
Rot. Bonds3

About N-(3-chloro-2-morpholin-4-ylphenyl)-2,6-dimethylpyridine-3-carboxamide

N-(3-chloro-2-morpholin-4-ylphenyl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 131960632) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-(3-chloro-2-morpholin-4-ylphenyl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-morpholin-4-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID131960632
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-(3-chloro-2-morpholin-4-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)c(C)n1
InChIInChI=1S/C18H20ClN3O2/c1-12-6-7-14(13(2)20-12)18(23)21-16-5-3-4-15(19)17(16)22-8-10-24-11-9-22/h3-7H,8-11H2,1-2H3,(H,21,23)
InChIKeyOCUNHTFFUSYHHK-UHFFFAOYSA-N
XLogP3.44
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 952438
2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide
CID 3968174
3,4-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)benzamide
CID 3478748
5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)naphthalene-1-carboxamide
CID 1254482
N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 126811432
N-(3-chloro-2-morpholin-4-ylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 24603945
3,5-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)-4-methoxybenzamide
CID 4029398
N-(3-chloro-2-morpholin-4-ylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 41270971
5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 1017993
N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3569422
1-benzyl-N-(3-chloro-2-morpholin-4-ylphenyl)triazole-4-carboxamide
CID 18153239
N-(3-chloro-2-morpholin-4-ylphenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30605699

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-2,6-dimethylpyridine-3-carboxamide (CID 131960632) is N-(3-chloro-2-morpholin-4-ylphenyl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-morpholin-4-ylphenyl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-morpholin-4-ylphenyl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)c(C)n1.
What is the InChIKey of N-(3-chloro-2-morpholin-4-ylphenyl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is OCUNHTFFUSYHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-12-6-7-14(13(2)20-12)18(23)21-16-5-3-4-15(19)17(16)22-8-10-24-11-9-22/h3-7H,8-11H2,1-2H3,(H,21,23).
What are the key properties of N-(3-chloro-2-morpholin-4-ylphenyl)-2,6-dimethylpyridine-3-carboxamide?
N-(3-chloro-2-morpholin-4-ylphenyl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-morpholin-4-ylphenyl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 131960632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).