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

C25H23N5O — CID 67062397

IUPAC1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)cc1
InChIInChI=1S/C25H23N5O/c1-18-7-9-19(10-8-18)17-28-25(31)30-24-16-21(12-14-27-24)20-11-13-26-23(15-20)29-22-5-3-2-4-6-22/h2-16H,17H2,1H3,(H,26,29)(H2,27,28,30,31)
InChIKeyPNLLMNJINQNEPH-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.52
Rot. Bonds6

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

1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-[(4-methylphenyl)methyl]urea (PubChem CID 67062397) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-[(4-methylphenyl)methyl]urea
PubChem CID67062397
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)cc1
InChIInChI=1S/C25H23N5O/c1-18-7-9-19(10-8-18)17-28-25(31)30-24-16-21(12-14-27-24)20-11-13-26-23(15-20)29-22-5-3-2-4-6-22/h2-16H,17H2,1H3,(H,26,29)(H2,27,28,30,31)
InChIKeyPNLLMNJINQNEPH-UHFFFAOYSA-N
XLogP5.52
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-fluorophenyl)urea
CID 67062221
1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-thiophen-3-ylurea
CID 10068802
1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea
CID 67062321
1-benzyl-3-(4-chloro-2-pyridinyl)urea
CID 108871348
1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea
CID 108898245
1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-nitrophenyl)urea
CID 67062216
1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-[1-(4-bromophenyl)ethyl]urea
CID 10074216
N-[(4-methylphenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide
CID 44999915
N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109346679
4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210484
N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide
CID 10475851
2-(3,4-difluoroanilino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169969

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-[(4-methylphenyl)methyl]urea (CID 67062397) is 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)cc1.
What is the InChIKey of 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-[(4-methylphenyl)methyl]urea?
The InChIKey is PNLLMNJINQNEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-18-7-9-19(10-8-18)17-28-25(31)30-24-16-21(12-14-27-24)20-11-13-26-23(15-20)29-22-5-3-2-4-6-22/h2-16H,17H2,1H3,(H,26,29)(H2,27,28,30,31).
What are the key properties of 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-[(4-methylphenyl)methyl]urea?
1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-[(4-methylphenyl)methyl]urea has a molecular weight of 409.49 g/mol, XLogP of 5.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 67062397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).