methyl 2-[8-[4-(dimethylcarbamoyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoate

C26H26N2O4 — CID 67435392

IUPACmethyl 2-[8-[4-(dimethylcarbamoyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)C1c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2Oc2ncccc21
InChIInChI=1S/C26H26N2O4/c1-26(2,25(30)31-5)22-19-13-12-18(15-21(19)32-23-20(22)7-6-14-27-23)16-8-10-17(11-9-16)24(29)28(3)4/h6-15,22H,1-5H3
InChIKeyUZPXJTANICPCJO-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.89
Rot. Bonds4

About methyl 2-[8-[4-(dimethylcarbamoyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoate

methyl 2-[8-[4-(dimethylcarbamoyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoate (PubChem CID 67435392) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is methyl 2-[8-[4-(dimethylcarbamoyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[8-[4-(dimethylcarbamoyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoate
PubChem CID67435392
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Namemethyl 2-[8-[4-(dimethylcarbamoyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)C1c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2Oc2ncccc21
InChIInChI=1S/C26H26N2O4/c1-26(2,25(30)31-5)22-19-13-12-18(15-21(19)32-23-20(22)7-6-14-27-23)16-8-10-17(11-9-16)24(29)28(3)4/h6-15,22H,1-5H3
InChIKeyUZPXJTANICPCJO-UHFFFAOYSA-N
XLogP4.89
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-chloro-13-[4-(dimethylcarbamoyl)phenyl]-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-9-yl]-2-methylpropanoic acid
CID 58091534
4-[9-fluoro-5-[2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]-N,N-dimethylbenzamide
CID 88892865
N,N-dimethyl-4-[6-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]benzamide
CID 142612695
N,N-dimethyl-3-(4-methylphenyl)benzamide
CID 121373381
N,N-dimethyl-4-[(9R)-13-methyl-9-[2-methyl-1-[(2-methyltetrazol-5-yl)amino]-1-oxopropan-2-yl]-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl]benzamide
CID 66853749
methyl 4-[9-(3-methoxy-3-oxoprop-1-en-2-yl)-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl]benzoate
CID 88983614
N,N-dimethyl-4-[3-(1,2,4-triazol-4-yl)phenyl]benzamide
CID 72923572
[N-[2-[5-[4-(dimethylcarbamoyl)phenyl]-13-methyl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-9-yl]-2-methylpropanoyl]carbamimidoyl] methanimidothioate
CID 143846403
N,N-dimethyl-4-[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]benzamide
CID 3235171
4-(4-hydroxyphenyl)-N,N-dimethylbenzamide
CID 53218656
1-[2-[4-(dimethylcarbamoyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]cyclopropane-1-carboxylic acid
CID 67436084
3-(3-hydroxy-2-pyridinyl)-N,N-dimethylbenzamide
CID 53218059

Frequently Asked Questions

What is the IUPAC name of methyl 2-[8-[4-(dimethylcarbamoyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoate?
The IUPAC name of methyl 2-[8-[4-(dimethylcarbamoyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoate (CID 67435392) is methyl 2-[8-[4-(dimethylcarbamoyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[8-[4-(dimethylcarbamoyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[8-[4-(dimethylcarbamoyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoate is COC(=O)C(C)(C)C1c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2Oc2ncccc21.
What is the InChIKey of methyl 2-[8-[4-(dimethylcarbamoyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoate?
The InChIKey is UZPXJTANICPCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-26(2,25(30)31-5)22-19-13-12-18(15-21(19)32-23-20(22)7-6-14-27-23)16-8-10-17(11-9-16)24(29)28(3)4/h6-15,22H,1-5H3.
What are the key properties of methyl 2-[8-[4-(dimethylcarbamoyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoate?
methyl 2-[8-[4-(dimethylcarbamoyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoate has a molecular weight of 430.50 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[8-[4-(dimethylcarbamoyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoate is sourced from PubChem (CID 67435392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).