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

C20H22F2N4O3 — CID 19357175

IUPACN-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,5-difluorophenyl)piperazine-1-carboxamide
SMILESCOc1nc(C)c(C(C)=O)cc1NC(=O)N1CCN(c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C20H22F2N4O3/c1-12-17(13(2)27)11-18(19(23-12)29-3)24-20(28)26-6-4-25(5-7-26)16-9-14(21)8-15(22)10-16/h8-11H,4-7H2,1-3H3,(H,24,28)
InChIKeyFGEHVHOANHRPID-UHFFFAOYSA-N
MW404.42 g/mol
LogP3.23
Rot. Bonds4

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

N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,5-difluorophenyl)piperazine-1-carboxamide (PubChem CID 19357175) has the molecular formula C20H22F2N4O3 and a molecular weight of 404.42 g/mol. Its IUPAC name is N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,5-difluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,5-difluorophenyl)piperazine-1-carboxamide
PubChem CID19357175
Molecular FormulaC20H22F2N4O3
Molecular Weight404.42 g/mol
Exact Mass404.17
IUPAC NameN-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,5-difluorophenyl)piperazine-1-carboxamide
SMILESCOc1nc(C)c(C(C)=O)cc1NC(=O)N1CCN(c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C20H22F2N4O3/c1-12-17(13(2)27)11-18(19(23-12)29-3)24-20(28)26-6-4-25(5-7-26)16-9-14(21)8-15(22)10-16/h8-11H,4-7H2,1-3H3,(H,24,28)
InChIKeyFGEHVHOANHRPID-UHFFFAOYSA-N
XLogP3.23
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-difluorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
CID 18663055
4-(3,5-difluorophenyl)-N-(2-methoxy-6-methyl-5-propyl-3-pyridinyl)piperazine-1-carboxamide
CID 19357182
4-(3,5-dichlorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
CID 67667638
4-(3,5-dimethylphenyl)-N-[5-(2-hydroxypropan-2-yl)-2-methoxy-6-methyl-3-pyridinyl]piperazine-1-carboxamide
CID 19357004
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-(3,5-difluorophenyl)-N-(2-hydroxy-4,5-dimethylphenyl)piperazine-1-carboxamide
CID 19357132
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3-hydroxy-4-methoxyphenyl)piperazine-1-carboxamide
CID 18663099
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-prop-1-en-2-ylphenyl)piperazine-1-carboxamide
CID 19357014
2-ethyl-6-methoxy-5-[[4-(3,4,5-trimethoxyphenyl)piperazine-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 21111621
4-(3-chlorophenyl)-N-(2-methoxy-6-methyl-5-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide
CID 18663154
4-(2,3-dimethylphenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
CID 18663052

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,5-difluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,5-difluorophenyl)piperazine-1-carboxamide (CID 19357175) is N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,5-difluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,5-difluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,5-difluorophenyl)piperazine-1-carboxamide is COc1nc(C)c(C(C)=O)cc1NC(=O)N1CCN(c2cc(F)cc(F)c2)CC1.
What is the InChIKey of N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,5-difluorophenyl)piperazine-1-carboxamide?
The InChIKey is FGEHVHOANHRPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O3/c1-12-17(13(2)27)11-18(19(23-12)29-3)24-20(28)26-6-4-25(5-7-26)16-9-14(21)8-15(22)10-16/h8-11H,4-7H2,1-3H3,(H,24,28).
What are the key properties of N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,5-difluorophenyl)piperazine-1-carboxamide?
N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,5-difluorophenyl)piperazine-1-carboxamide has a molecular weight of 404.42 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,5-difluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 19357175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).