1-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylurea

C20H20N4O — CID 113017398

IUPAC1-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylurea
SMILESCCc1ccccc1Nc1ccc(NC(=O)Nc2ccccc2)cn1
InChIInChI=1S/C20H20N4O/c1-2-15-8-6-7-11-18(15)24-19-13-12-17(14-21-19)23-20(25)22-16-9-4-3-5-10-16/h3-14H,2H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyRQJVRVKPPHJLQP-UHFFFAOYSA-N
MW332.41 g/mol
LogP5.03
Rot. Bonds5

About 1-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylurea

1-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylurea (PubChem CID 113017398) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylurea.

Molecular Properties

Compound Name1-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylurea
PubChem CID113017398
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name1-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylurea
SMILESCCc1ccccc1Nc1ccc(NC(=O)Nc2ccccc2)cn1
InChIInChI=1S/C20H20N4O/c1-2-15-8-6-7-11-18(15)24-19-13-12-17(14-21-19)23-20(25)22-16-9-4-3-5-10-16/h3-14H,2H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyRQJVRVKPPHJLQP-UHFFFAOYSA-N
XLogP5.03
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.41
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(2-ethylanilino)pyridazin-3-yl]-3-phenylurea
CID 113046668
1-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3-phenylurea
CID 113017689
N-[6-(2-ethylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017402
1-[6-(methylamino)-3-pyridinyl]-3-phenylurea
CID 115268499
1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea
CID 113009091
N-[6-(2-ethylanilino)-3-pyridinyl]ethanesulfonamide
CID 113017407
1-[6-(4-bromoanilino)-3-pyridinyl]-3-phenylurea
CID 113019226
1-[6-(2-bromo-4-methylanilino)-3-pyridinyl]-3-phenylurea
CID 113021474
1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea
CID 113012390
N-[6-(2,6-diethylanilino)-3-pyridinyl]benzamide
CID 113017964
1-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113022483
1-[5-(butylamino)-2-pyridinyl]-3-phenylurea
CID 113024016

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylurea?
The IUPAC name of 1-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylurea (CID 113017398) is 1-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylurea.
What is the SMILES notation for 1-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylurea?
The canonical SMILES for 1-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylurea is CCc1ccccc1Nc1ccc(NC(=O)Nc2ccccc2)cn1.
What is the InChIKey of 1-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylurea?
The InChIKey is RQJVRVKPPHJLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-2-15-8-6-7-11-18(15)24-19-13-12-17(14-21-19)23-20(25)22-16-9-4-3-5-10-16/h3-14H,2H2,1H3,(H,21,24)(H2,22,23,25).
What are the key properties of 1-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylurea?
1-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylurea has a molecular weight of 332.41 g/mol, XLogP of 5.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylurea is sourced from PubChem (CID 113017398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).