4-(3,5-dichlorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide

C19H22Cl2N4O2 — CID 67667638

IUPAC4-(3,5-dichlorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
SMILESCOc1nc(C)c(C)cc1NC(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C19H22Cl2N4O2/c1-12-8-17(18(27-3)22-13(12)2)23-19(26)25-6-4-24(5-7-25)16-10-14(20)9-15(21)11-16/h8-11H,4-7H2,1-3H3,(H,23,26)
InChIKeyHZZWNNFGCLZNMI-UHFFFAOYSA-N
MW409.32 g/mol
LogP4.37
Rot. Bonds3

About 4-(3,5-dichlorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide

4-(3,5-dichlorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide (PubChem CID 67667638) has the molecular formula C19H22Cl2N4O2 and a molecular weight of 409.32 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
PubChem CID67667638
Molecular FormulaC19H22Cl2N4O2
Molecular Weight409.32 g/mol
Exact Mass408.11
IUPAC Name4-(3,5-dichlorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
SMILESCOc1nc(C)c(C)cc1NC(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C19H22Cl2N4O2/c1-12-8-17(18(27-3)22-13(12)2)23-19(26)25-6-4-24(5-7-25)16-10-14(20)9-15(21)11-16/h8-11H,4-7H2,1-3H3,(H,23,26)
InChIKeyHZZWNNFGCLZNMI-UHFFFAOYSA-N
XLogP4.37
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-difluorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
CID 18663055
4-(2,3-dimethylphenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
CID 18663052
4-(3-chlorophenyl)-N-(2-methoxy-6-methyl-5-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide
CID 18663154
4-(3,5-dimethylphenyl)-N-[5-(2-hydroxypropan-2-yl)-2-methoxy-6-methyl-3-pyridinyl]piperazine-1-carboxamide
CID 19357004
N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,5-difluorophenyl)piperazine-1-carboxamide
CID 19357175
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 18663089
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(4-methylphenyl)piperazine-1-carboxamide
CID 18663113
4-(3-chloro-4-methoxyphenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 18663096
4-(3,5-difluorophenyl)-N-(2-methoxy-6-methyl-5-propyl-3-pyridinyl)piperazine-1-carboxamide
CID 19357182
4-(5-chloro-2-methoxyphenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 18663114
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3-hydroxy-4-methoxyphenyl)piperazine-1-carboxamide
CID 18663099
S-[(2-methoxy-5,6-dimethyl-3-pyridinyl)amino] 4-(4-methylphenyl)piperazine-1-carbothioate
CID 22939045

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-dichlorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide (CID 67667638) is 4-(3,5-dichlorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-dichlorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide is COc1nc(C)c(C)cc1NC(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 4-(3,5-dichlorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide?
The InChIKey is HZZWNNFGCLZNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O2/c1-12-8-17(18(27-3)22-13(12)2)23-19(26)25-6-4-24(5-7-25)16-10-14(20)9-15(21)11-16/h8-11H,4-7H2,1-3H3,(H,23,26).
What are the key properties of 4-(3,5-dichlorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide?
4-(3,5-dichlorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide has a molecular weight of 409.32 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 67667638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).