methyl N-[7-cyano-8-(2,4-dimethylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate

C22H25N3O4 — CID 123493112

IUPACmethyl N-[7-cyano-8-(2,4-dimethylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate
SMILESCOC(=O)Nc1cc2c(cn1)COc1c-2ccc(OCC(C)CC(C)C)c1C#N
InChIInChI=1S/C22H25N3O4/c1-13(2)7-14(3)11-28-19-6-5-16-17-8-20(25-22(26)27-4)24-10-15(17)12-29-21(16)18(19)9-23/h5-6,8,10,13-14H,7,11-12H2,1-4H3,(H,24,25,26)
InChIKeyUTGSWYNTYZCFCH-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.75
Rot. Bonds6

About methyl N-[7-cyano-8-(2,4-dimethylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate

methyl N-[7-cyano-8-(2,4-dimethylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate (PubChem CID 123493112) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is methyl N-[7-cyano-8-(2,4-dimethylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[7-cyano-8-(2,4-dimethylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate
PubChem CID123493112
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Namemethyl N-[7-cyano-8-(2,4-dimethylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate
SMILESCOC(=O)Nc1cc2c(cn1)COc1c-2ccc(OCC(C)CC(C)C)c1C#N
InChIInChI=1S/C22H25N3O4/c1-13(2)7-14(3)11-28-19-6-5-16-17-8-20(25-22(26)27-4)24-10-15(17)12-29-21(16)18(19)9-23/h5-6,8,10,13-14H,7,11-12H2,1-4H3,(H,24,25,26)
InChIKeyUTGSWYNTYZCFCH-UHFFFAOYSA-N
XLogP4.75
TPSA93.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl N-[7-cyano-8-(2,4-dimethylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2S)-1-[(2-acetamido-7-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-yl]carbamate
CID 86724451
methyl N-[8-[(2S)-2-amino-4-methylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate
CID 134530895
methyl N-[4-[2-(2,4-dimethylpentoxy)pyrimidin-5-yl]-2-pyridinyl]carbamate
CID 144939875
methyl N-[4-[3-cyano-4-[(2R)-2,4-dimethylpentoxy]phenyl]-3-fluoro-2-pyridinyl]carbamate
CID 145286393
methyl N-[8-[(2S)-2-amino-2,4-dimethylpentoxy]-9-fluoro-5H-chromeno[3,4-c]pyridin-2-yl]carbamate
CID 122449352
propan-2-yl N-[8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate
CID 130389284
methyl N-[8-(4-amino-2-methylpentoxy)-6H-isochromeno[3,4-c]pyridin-4-yl]carbamate
CID 145168244
N-[8-[(2,4-dimethylazetidin-2-yl)methoxy]-7-methoxy-5H-chromeno[3,4-c]pyridin-2-yl]acetamide
CID 130389317
methyl N-[8-[2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate
CID 134530901
ethane;methyl N-[8-(4-amino-2-methylpentoxy)-1,9-dichloro-5H-chromeno[3,4-c]pyridin-2-yl]carbamate
CID 144806668
methyl N-[4-[6-(2,4-dimethylpentoxy)-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]carbamate
CID 144939981
N-[9-chloro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide
CID 151770531

Frequently Asked Questions

What is the IUPAC name of methyl N-[7-cyano-8-(2,4-dimethylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate?
The IUPAC name of methyl N-[7-cyano-8-(2,4-dimethylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate (CID 123493112) is methyl N-[7-cyano-8-(2,4-dimethylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate.
What is the SMILES notation for methyl N-[7-cyano-8-(2,4-dimethylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate?
The canonical SMILES for methyl N-[7-cyano-8-(2,4-dimethylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate is COC(=O)Nc1cc2c(cn1)COc1c-2ccc(OCC(C)CC(C)C)c1C#N.
What is the InChIKey of methyl N-[7-cyano-8-(2,4-dimethylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate?
The InChIKey is UTGSWYNTYZCFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-13(2)7-14(3)11-28-19-6-5-16-17-8-20(25-22(26)27-4)24-10-15(17)12-29-21(16)18(19)9-23/h5-6,8,10,13-14H,7,11-12H2,1-4H3,(H,24,25,26).
What are the key properties of methyl N-[7-cyano-8-(2,4-dimethylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate?
methyl N-[7-cyano-8-(2,4-dimethylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate has a molecular weight of 395.46 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[7-cyano-8-(2,4-dimethylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate is sourced from PubChem (CID 123493112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).