[3-[2-[3-(carboxyamino)phenyl]-5,6-dimethoxy-3-pyridinyl]phenyl]carbamic acid

C21H19N3O6 — CID 118306661

IUPAC[3-[2-[3-(carboxyamino)phenyl]-5,6-dimethoxy-3-pyridinyl]phenyl]carbamic acid
SMILESCOc1cc(-c2cccc(NC(=O)O)c2)c(-c2cccc(NC(=O)O)c2)nc1OC
InChIInChI=1S/C21H19N3O6/c1-29-17-11-16(12-5-3-7-14(9-12)22-20(25)26)18(24-19(17)30-2)13-6-4-8-15(10-13)23-21(27)28/h3-11,22-23H,1-2H3,(H,25,26)(H,27,28)
InChIKeyJDPXNSIXSAQHKC-UHFFFAOYSA-N
MW409.40 g/mol
LogP4.61
Rot. Bonds6

About [3-[2-[3-(carboxyamino)phenyl]-5,6-dimethoxy-3-pyridinyl]phenyl]carbamic acid

[3-[2-[3-(carboxyamino)phenyl]-5,6-dimethoxy-3-pyridinyl]phenyl]carbamic acid (PubChem CID 118306661) has the molecular formula C21H19N3O6 and a molecular weight of 409.40 g/mol. Its IUPAC name is [3-[2-[3-(carboxyamino)phenyl]-5,6-dimethoxy-3-pyridinyl]phenyl]carbamic acid.

Molecular Properties

Compound Name[3-[2-[3-(carboxyamino)phenyl]-5,6-dimethoxy-3-pyridinyl]phenyl]carbamic acid
PubChem CID118306661
Molecular FormulaC21H19N3O6
Molecular Weight409.40 g/mol
Exact Mass409.13
IUPAC Name[3-[2-[3-(carboxyamino)phenyl]-5,6-dimethoxy-3-pyridinyl]phenyl]carbamic acid
SMILESCOc1cc(-c2cccc(NC(=O)O)c2)c(-c2cccc(NC(=O)O)c2)nc1OC
InChIInChI=1S/C21H19N3O6/c1-29-17-11-16(12-5-3-7-14(9-12)22-20(25)26)18(24-19(17)30-2)13-6-4-8-15(10-13)23-21(27)28/h3-11,22-23H,1-2H3,(H,25,26)(H,27,28)
InChIKeyJDPXNSIXSAQHKC-UHFFFAOYSA-N
XLogP4.61
TPSA130.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 54.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(3-phenylphenyl)carbamic acid
CID 611602
2-ethoxy-3-methoxy-5,6-diphenylpyridine
CID 90076394
1-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-3-phenylurea
CID 22663120
2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 99582165
N-[3-[2-(5-chloro-2-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide
CID 25130141
N-(3-chloro-4-methoxyphenyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 9083062
2-(3-acetamidophenyl)-5-methoxybenzoic acid
CID 53227035
[3-(methylamino)phenyl]carbamic acid
CID 66771222
2,6-dimethoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide
CID 136773095
N-[3-(2-methoxyphenyl)phenyl]piperidine-4-carboxamide
CID 119281226
[3-(2-oxo-1H-pyrimidin-5-yl)phenyl]carbamic acid
CID 146525132
1-(4-methoxyquinolin-2-yl)-3-phenylurea
CID 134098367

Frequently Asked Questions

What is the IUPAC name of [3-[2-[3-(carboxyamino)phenyl]-5,6-dimethoxy-3-pyridinyl]phenyl]carbamic acid?
The IUPAC name of [3-[2-[3-(carboxyamino)phenyl]-5,6-dimethoxy-3-pyridinyl]phenyl]carbamic acid (CID 118306661) is [3-[2-[3-(carboxyamino)phenyl]-5,6-dimethoxy-3-pyridinyl]phenyl]carbamic acid.
What is the SMILES notation for [3-[2-[3-(carboxyamino)phenyl]-5,6-dimethoxy-3-pyridinyl]phenyl]carbamic acid?
The canonical SMILES for [3-[2-[3-(carboxyamino)phenyl]-5,6-dimethoxy-3-pyridinyl]phenyl]carbamic acid is COc1cc(-c2cccc(NC(=O)O)c2)c(-c2cccc(NC(=O)O)c2)nc1OC.
What is the InChIKey of [3-[2-[3-(carboxyamino)phenyl]-5,6-dimethoxy-3-pyridinyl]phenyl]carbamic acid?
The InChIKey is JDPXNSIXSAQHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O6/c1-29-17-11-16(12-5-3-7-14(9-12)22-20(25)26)18(24-19(17)30-2)13-6-4-8-15(10-13)23-21(27)28/h3-11,22-23H,1-2H3,(H,25,26)(H,27,28).
What are the key properties of [3-[2-[3-(carboxyamino)phenyl]-5,6-dimethoxy-3-pyridinyl]phenyl]carbamic acid?
[3-[2-[3-(carboxyamino)phenyl]-5,6-dimethoxy-3-pyridinyl]phenyl]carbamic acid has a molecular weight of 409.40 g/mol, XLogP of 4.61, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[3-(carboxyamino)phenyl]-5,6-dimethoxy-3-pyridinyl]phenyl]carbamic acid is sourced from PubChem (CID 118306661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).