methane;methyl 6-chloro-2-[[2-(cyclopropylmethylcarbamoyl)-6-methylpyridine-3-carbonyl]amino]-3-methylbenzoate

C22H26ClN3O4 — CID 165055436

IUPACmethane;methyl 6-chloro-2-[[2-(cyclopropylmethylcarbamoyl)-6-methylpyridine-3-carbonyl]amino]-3-methylbenzoate
SMILESC.COC(=O)c1c(Cl)ccc(C)c1NC(=O)c1ccc(C)nc1C(=O)NCC1CC1
InChIInChI=1S/C21H22ClN3O4.CH4/c1-11-4-9-15(22)16(21(28)29-3)17(11)25-19(26)14-8-5-12(2)24-18(14)20(27)23-10-13-6-7-13;/h4-5,8-9,13H,6-7,10H2,1-3H3,(H,23,27)(H,25,26);1H4
InChIKeyQIKSFYPOWGFJQN-UHFFFAOYSA-N
MW431.92 g/mol
LogP4.17
Rot. Bonds6

About methane;methyl 6-chloro-2-[[2-(cyclopropylmethylcarbamoyl)-6-methylpyridine-3-carbonyl]amino]-3-methylbenzoate

methane;methyl 6-chloro-2-[[2-(cyclopropylmethylcarbamoyl)-6-methylpyridine-3-carbonyl]amino]-3-methylbenzoate (PubChem CID 165055436) has the molecular formula C22H26ClN3O4 and a molecular weight of 431.92 g/mol. Its IUPAC name is methane;methyl 6-chloro-2-[[2-(cyclopropylmethylcarbamoyl)-6-methylpyridine-3-carbonyl]amino]-3-methylbenzoate.

Molecular Properties

Compound Namemethane;methyl 6-chloro-2-[[2-(cyclopropylmethylcarbamoyl)-6-methylpyridine-3-carbonyl]amino]-3-methylbenzoate
PubChem CID165055436
Molecular FormulaC22H26ClN3O4
Molecular Weight431.92 g/mol
Exact Mass431.16
IUPAC Namemethane;methyl 6-chloro-2-[[2-(cyclopropylmethylcarbamoyl)-6-methylpyridine-3-carbonyl]amino]-3-methylbenzoate
SMILESC.COC(=O)c1c(Cl)ccc(C)c1NC(=O)c1ccc(C)nc1C(=O)NCC1CC1
InChIInChI=1S/C21H22ClN3O4.CH4/c1-11-4-9-15(22)16(21(28)29-3)17(11)25-19(26)14-8-5-12(2)24-18(14)20(27)23-10-13-6-7-13;/h4-5,8-9,13H,6-7,10H2,1-3H3,(H,23,27)(H,25,26);1H4
InChIKeyQIKSFYPOWGFJQN-UHFFFAOYSA-N
XLogP4.17
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methane;methyl 6-chloro-2-[[2-(cyclopropylmethylcarbamoyl)-6-methylpyridine-3-carbonyl]amino]-3-methylbenzoate with MolForge

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Related Compounds

3-N-[3-bromo-2-(methoxymethyl)-6-methylphenyl]-2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide
CID 70159837
methyl 4-chloro-3-methyl-2-[[6-methyl-2-(propylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 70160096
2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide
CID 142018542
3-N-(3-chloro-2-cyanophenyl)-2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide
CID 18408378
methyl 2-[[2-(cyclopropylmethylcarbamoyloxy)-6-methylpyridine-3-carbonyl]amino]-6-methylbenzoate
CID 70098869
methyl 6-bromo-2-[[2-(butylcarbamoyl)-6-methylpyridine-3-carbonyl]amino]-3-ethylbenzoate
CID 70160650
3-N-[3-bromo-2-(methoxymethyl)-6-methylphenyl]-6-methyl-2-N-propan-2-ylpyridine-2,3-dicarboxamide
CID 70160671
3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide
CID 55042718
4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81225290
4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide
CID 106134057
methyl 4-[[6-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate
CID 86707356
3-chloro-6-(ethylamino)-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 107415196

Frequently Asked Questions

What is the IUPAC name of methane;methyl 6-chloro-2-[[2-(cyclopropylmethylcarbamoyl)-6-methylpyridine-3-carbonyl]amino]-3-methylbenzoate?
The IUPAC name of methane;methyl 6-chloro-2-[[2-(cyclopropylmethylcarbamoyl)-6-methylpyridine-3-carbonyl]amino]-3-methylbenzoate (CID 165055436) is methane;methyl 6-chloro-2-[[2-(cyclopropylmethylcarbamoyl)-6-methylpyridine-3-carbonyl]amino]-3-methylbenzoate.
What is the SMILES notation for methane;methyl 6-chloro-2-[[2-(cyclopropylmethylcarbamoyl)-6-methylpyridine-3-carbonyl]amino]-3-methylbenzoate?
The canonical SMILES for methane;methyl 6-chloro-2-[[2-(cyclopropylmethylcarbamoyl)-6-methylpyridine-3-carbonyl]amino]-3-methylbenzoate is C.COC(=O)c1c(Cl)ccc(C)c1NC(=O)c1ccc(C)nc1C(=O)NCC1CC1.
What is the InChIKey of methane;methyl 6-chloro-2-[[2-(cyclopropylmethylcarbamoyl)-6-methylpyridine-3-carbonyl]amino]-3-methylbenzoate?
The InChIKey is QIKSFYPOWGFJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4.CH4/c1-11-4-9-15(22)16(21(28)29-3)17(11)25-19(26)14-8-5-12(2)24-18(14)20(27)23-10-13-6-7-13;/h4-5,8-9,13H,6-7,10H2,1-3H3,(H,23,27)(H,25,26);1H4.
What are the key properties of methane;methyl 6-chloro-2-[[2-(cyclopropylmethylcarbamoyl)-6-methylpyridine-3-carbonyl]amino]-3-methylbenzoate?
methane;methyl 6-chloro-2-[[2-(cyclopropylmethylcarbamoyl)-6-methylpyridine-3-carbonyl]amino]-3-methylbenzoate has a molecular weight of 431.92 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl 6-chloro-2-[[2-(cyclopropylmethylcarbamoyl)-6-methylpyridine-3-carbonyl]amino]-3-methylbenzoate is sourced from PubChem (CID 165055436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).