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

C19H22F2N4O2 — CID 18663055

IUPAC4-(3,5-difluorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
SMILESCOc1nc(C)c(C)cc1NC(=O)N1CCN(c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C19H22F2N4O2/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)
InChIKeyIAIQTQQHEJFEDE-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.34
Rot. Bonds3

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

4-(3,5-difluorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide (PubChem CID 18663055) has the molecular formula C19H22F2N4O2 and a molecular weight of 376.41 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
PubChem CID18663055
Molecular FormulaC19H22F2N4O2
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name4-(3,5-difluorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
SMILESCOc1nc(C)c(C)cc1NC(=O)N1CCN(c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C19H22F2N4O2/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)
InChIKeyIAIQTQQHEJFEDE-UHFFFAOYSA-N
XLogP3.34
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3,5-difluorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide with MolForge

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Related Compounds

N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,5-difluorophenyl)piperazine-1-carboxamide
CID 19357175
4-(3,5-dichlorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
CID 67667638
4-(3,5-difluorophenyl)-N-(2-methoxy-6-methyl-5-propyl-3-pyridinyl)piperazine-1-carboxamide
CID 19357182
4-(2,3-dimethylphenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
CID 18663052
4-(3,5-dimethylphenyl)-N-[5-(2-hydroxypropan-2-yl)-2-methoxy-6-methyl-3-pyridinyl]piperazine-1-carboxamide
CID 19357004
4-(3,5-difluorophenyl)-N-(2-hydroxy-4,5-dimethylphenyl)piperazine-1-carboxamide
CID 19357132
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-chlorophenyl)-N-(2-methoxy-6-methyl-5-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide
CID 18663154
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
4-(3,5-dimethylphenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)-1-oxidopiperazin-1-ium-1-carboxamide
CID 142628238

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-difluorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide (CID 18663055) is 4-(3,5-difluorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-difluorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-difluorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide is COc1nc(C)c(C)cc1NC(=O)N1CCN(c2cc(F)cc(F)c2)CC1.
What is the InChIKey of 4-(3,5-difluorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide?
The InChIKey is IAIQTQQHEJFEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O2/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-difluorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide?
4-(3,5-difluorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 18663055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).