methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate

C20H17ClN6O4 — CID 140670353

IUPACmethyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate
SMILESCOC(=O)Nc1cc(C#N)cc(C)c1NC(=O)c1cc(OC)nn1-c1ncccc1Cl
InChIInChI=1S/C20H17ClN6O4/c1-11-7-12(10-22)8-14(24-20(29)31-3)17(11)25-19(28)15-9-16(30-2)26-27(15)18-13(21)5-4-6-23-18/h4-9H,1-3H3,(H,24,29)(H,25,28)
InChIKeyHDZQFCQPOIPOOY-UHFFFAOYSA-N
MW440.85 g/mol
LogP3.54
Rot. Bonds5

About methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate

methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate (PubChem CID 140670353) has the molecular formula C20H17ClN6O4 and a molecular weight of 440.85 g/mol. Its IUPAC name is methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate
PubChem CID140670353
Molecular FormulaC20H17ClN6O4
Molecular Weight440.85 g/mol
Exact Mass440.10
IUPAC Namemethyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate
SMILESCOC(=O)Nc1cc(C#N)cc(C)c1NC(=O)c1cc(OC)nn1-c1ncccc1Cl
InChIInChI=1S/C20H17ClN6O4/c1-11-7-12(10-22)8-14(24-20(29)31-3)17(11)25-19(28)15-9-16(30-2)26-27(15)18-13(21)5-4-6-23-18/h4-9H,1-3H3,(H,24,29)(H,25,28)
InChIKeyHDZQFCQPOIPOOY-UHFFFAOYSA-N
XLogP3.54
TPSA131.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.85
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate with MolForge

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Related Compounds

methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-cyanopyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate
CID 140670359
methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate
CID 140670332
3-chloro-1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-methylsulfonylphenyl)pyrazole-5-carboxamide
CID 139400912
methylamino 2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylbenzoate
CID 151096234
1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-propan-2-ylphenyl)-3-(thietan-3-yloxy)pyrazole-5-carboxamide
CID 150035291
[2-[[1-(3-chloro-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]-methylcarbamic acid
CID 122526089
3-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-[2-(methylamino)-2-oxoethyl]phenyl]pyrazole-5-carboxamide
CID 123831656
[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]-ethylcarbamic acid
CID 122526088
amino-[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylbenzoyl]azanide;dimethylazanide;yttrium
CID 145498242
1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-(ethylcarbamoyl)-6-methylphenyl]-3-(thietan-3-yloxy)pyrazole-5-carboxamide
CID 139371034
3-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(2-oxopropylcarbamoyl)phenyl]pyrazole-5-carboxamide
CID 58202277
1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-(cyclopropylcarbamoyl)-6-methylphenyl]-3-[3-(trifluoromethyl)oxetan-3-yl]oxypyrazole-5-carboxamide
CID 139371103

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate?
The IUPAC name of methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate (CID 140670353) is methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate.
What is the SMILES notation for methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate?
The canonical SMILES for methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate is COC(=O)Nc1cc(C#N)cc(C)c1NC(=O)c1cc(OC)nn1-c1ncccc1Cl.
What is the InChIKey of methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate?
The InChIKey is HDZQFCQPOIPOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O4/c1-11-7-12(10-22)8-14(24-20(29)31-3)17(11)25-19(28)15-9-16(30-2)26-27(15)18-13(21)5-4-6-23-18/h4-9H,1-3H3,(H,24,29)(H,25,28).
What are the key properties of methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate?
methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate has a molecular weight of 440.85 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate is sourced from PubChem (CID 140670353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).