[2-[3-chloro-5-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6-oxo-2,3-dihydropyrazin-1-yl]-2-cyclopropylethyl] N-(2-chlorophenyl)carbamate

C24H27Cl2N5O4 — CID 90792585

IUPAC[2-[3-chloro-5-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6-oxo-2,3-dihydropyrazin-1-yl]-2-cyclopropylethyl] N-(2-chlorophenyl)carbamate
SMILESCOc1nc(C)c(NC2=NC(Cl)CN(C(COC(=O)Nc3ccccc3Cl)C3CC3)C2=O)cc1C
InChIInChI=1S/C24H27Cl2N5O4/c1-13-10-18(14(2)27-22(13)34-3)28-21-23(32)31(11-20(26)30-21)19(15-8-9-15)12-35-24(33)29-17-7-5-4-6-16(17)25/h4-7,10,15,19-20H,8-9,11-12H2,1-3H3,(H,28,30)(H,29,33)
InChIKeyHGNVXAGOYNLWCT-UHFFFAOYSA-N
MW520.42 g/mol
LogP4.61
Rot. Bonds7

About [2-[3-chloro-5-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6-oxo-2,3-dihydropyrazin-1-yl]-2-cyclopropylethyl] N-(2-chlorophenyl)carbamate

[2-[3-chloro-5-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6-oxo-2,3-dihydropyrazin-1-yl]-2-cyclopropylethyl] N-(2-chlorophenyl)carbamate (PubChem CID 90792585) has the molecular formula C24H27Cl2N5O4 and a molecular weight of 520.42 g/mol. Its IUPAC name is [2-[3-chloro-5-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6-oxo-2,3-dihydropyrazin-1-yl]-2-cyclopropylethyl] N-(2-chlorophenyl)carbamate.

Molecular Properties

Compound Name[2-[3-chloro-5-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6-oxo-2,3-dihydropyrazin-1-yl]-2-cyclopropylethyl] N-(2-chlorophenyl)carbamate
PubChem CID90792585
Molecular FormulaC24H27Cl2N5O4
Molecular Weight520.42 g/mol
Exact Mass519.14
IUPAC Name[2-[3-chloro-5-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6-oxo-2,3-dihydropyrazin-1-yl]-2-cyclopropylethyl] N-(2-chlorophenyl)carbamate
SMILESCOc1nc(C)c(NC2=NC(Cl)CN(C(COC(=O)Nc3ccccc3Cl)C3CC3)C2=O)cc1C
InChIInChI=1S/C24H27Cl2N5O4/c1-13-10-18(14(2)27-22(13)34-3)28-21-23(32)31(11-20(26)30-21)19(15-8-9-15)12-35-24(33)29-17-7-5-4-6-16(17)25/h4-7,10,15,19-20H,8-9,11-12H2,1-3H3,(H,28,30)(H,29,33)
InChIKeyHGNVXAGOYNLWCT-UHFFFAOYSA-N
XLogP4.61
TPSA105.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.42
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2-[5-chloro-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-2-oxopyrazin-1-yl]-2-cyclopropylethyl] N-butylcarbamate
CID 67160352
2,6-dichloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3-dihydropyrazin-5-one
CID 143934538
(3S)-N-(2-chlorophenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365110
(3S)-N-(2-chlorophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365109
2-N-(2-chlorophenyl)-6-N-(2-methoxy-5-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100814
(2S,6S)-N-(2-chlorophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 41097747
N-(2-chlorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1092875
4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150938
1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one
CID 67076089
N-(2-chlorophenyl)-3,5-dimethoxybenzamide
CID 835443
(3R)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047690
N-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075573

Frequently Asked Questions

What is the IUPAC name of [2-[3-chloro-5-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6-oxo-2,3-dihydropyrazin-1-yl]-2-cyclopropylethyl] N-(2-chlorophenyl)carbamate?
The IUPAC name of [2-[3-chloro-5-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6-oxo-2,3-dihydropyrazin-1-yl]-2-cyclopropylethyl] N-(2-chlorophenyl)carbamate (CID 90792585) is [2-[3-chloro-5-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6-oxo-2,3-dihydropyrazin-1-yl]-2-cyclopropylethyl] N-(2-chlorophenyl)carbamate.
What is the SMILES notation for [2-[3-chloro-5-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6-oxo-2,3-dihydropyrazin-1-yl]-2-cyclopropylethyl] N-(2-chlorophenyl)carbamate?
The canonical SMILES for [2-[3-chloro-5-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6-oxo-2,3-dihydropyrazin-1-yl]-2-cyclopropylethyl] N-(2-chlorophenyl)carbamate is COc1nc(C)c(NC2=NC(Cl)CN(C(COC(=O)Nc3ccccc3Cl)C3CC3)C2=O)cc1C.
What is the InChIKey of [2-[3-chloro-5-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6-oxo-2,3-dihydropyrazin-1-yl]-2-cyclopropylethyl] N-(2-chlorophenyl)carbamate?
The InChIKey is HGNVXAGOYNLWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N5O4/c1-13-10-18(14(2)27-22(13)34-3)28-21-23(32)31(11-20(26)30-21)19(15-8-9-15)12-35-24(33)29-17-7-5-4-6-16(17)25/h4-7,10,15,19-20H,8-9,11-12H2,1-3H3,(H,28,30)(H,29,33).
What are the key properties of [2-[3-chloro-5-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6-oxo-2,3-dihydropyrazin-1-yl]-2-cyclopropylethyl] N-(2-chlorophenyl)carbamate?
[2-[3-chloro-5-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6-oxo-2,3-dihydropyrazin-1-yl]-2-cyclopropylethyl] N-(2-chlorophenyl)carbamate has a molecular weight of 520.42 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-chloro-5-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6-oxo-2,3-dihydropyrazin-1-yl]-2-cyclopropylethyl] N-(2-chlorophenyl)carbamate is sourced from PubChem (CID 90792585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).