1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea

C24H21N5O2 — CID 67062321

IUPAC1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)cc1
InChIInChI=1S/C24H21N5O2/c1-31-21-9-7-20(8-10-21)28-24(30)29-23-16-18(12-14-26-23)17-11-13-25-22(15-17)27-19-5-3-2-4-6-19/h2-16H,1H3,(H,25,27)(H2,26,28,29,30)
InChIKeyCRVQUSCTBGBYTD-UHFFFAOYSA-N
MW411.47 g/mol
LogP5.54
Rot. Bonds6

About 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea

1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea (PubChem CID 67062321) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea
PubChem CID67062321
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)cc1
InChIInChI=1S/C24H21N5O2/c1-31-21-9-7-20(8-10-21)28-24(30)29-23-16-18(12-14-26-23)17-11-13-25-22(15-17)27-19-5-3-2-4-6-19/h2-16H,1H3,(H,25,27)(H2,26,28,29,30)
InChIKeyCRVQUSCTBGBYTD-UHFFFAOYSA-N
XLogP5.54
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.47
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide
CID 10475851
1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-fluorophenyl)urea
CID 67062221
1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-nitrophenyl)urea
CID 67062216
1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-thiophen-3-ylurea
CID 10068802
2-(3-acetamidoanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109178041
1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-[(4-methylphenyl)methyl]urea
CID 67062397
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113020117
1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-[1-(4-bromophenyl)ethyl]urea
CID 10074216
1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)urea
CID 6464398
N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866239
1-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-phenylurea
CID 113034717

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea (CID 67062321) is 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)cc1.
What is the InChIKey of 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea?
The InChIKey is CRVQUSCTBGBYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-31-21-9-7-20(8-10-21)28-24(30)29-23-16-18(12-14-26-23)17-11-13-25-22(15-17)27-19-5-3-2-4-6-19/h2-16H,1H3,(H,25,27)(H2,26,28,29,30).
What are the key properties of 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea?
1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea has a molecular weight of 411.47 g/mol, XLogP of 5.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 67062321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).