1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea

C20H20N4O3 — CID 113020117

IUPAC1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
SMILESCOc1ccc(Nc2ccc(NC(=O)Nc3ccccc3)cn2)cc1OC
InChIInChI=1S/C20H20N4O3/c1-26-17-10-8-15(12-18(17)27-2)22-19-11-9-16(13-21-19)24-20(25)23-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,21,22)(H2,23,24,25)
InChIKeyCTIHYNIYDMMYGD-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.49
Rot. Bonds6

About 1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea

1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea (PubChem CID 113020117) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea.

Molecular Properties

Compound Name1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
PubChem CID113020117
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
SMILESCOc1ccc(Nc2ccc(NC(=O)Nc3ccccc3)cn2)cc1OC
InChIInChI=1S/C20H20N4O3/c1-26-17-10-8-15(12-18(17)27-2)22-19-11-9-16(13-21-19)24-20(25)23-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,21,22)(H2,23,24,25)
InChIKeyCTIHYNIYDMMYGD-UHFFFAOYSA-N
XLogP4.49
TPSA84.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]carbamate
CID 113020119
1-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113022483
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113020114
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]butanamide
CID 113020075
6-(3,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163977
1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea
CID 113012390
1-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-phenylurea
CID 113034717
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113020115
1-[6-(4-bromoanilino)-3-pyridinyl]-3-phenylurea
CID 113019226
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113020111
1-[6-(methylamino)-3-pyridinyl]-3-phenylurea
CID 115268499
N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 113022770

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea?
The IUPAC name of 1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea (CID 113020117) is 1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea.
What is the SMILES notation for 1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea?
The canonical SMILES for 1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea is COc1ccc(Nc2ccc(NC(=O)Nc3ccccc3)cn2)cc1OC.
What is the InChIKey of 1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea?
The InChIKey is CTIHYNIYDMMYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-17-10-8-15(12-18(17)27-2)22-19-11-9-16(13-21-19)24-20(25)23-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,21,22)(H2,23,24,25).
What are the key properties of 1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea?
1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea has a molecular weight of 364.41 g/mol, XLogP of 4.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea is sourced from PubChem (CID 113020117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).