1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea

C20H20N4O2 — CID 113012390

IUPAC1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea
SMILESCOc1ccccc1CNc1ccc(NC(=O)Nc2ccccc2)cn1
InChIInChI=1S/C20H20N4O2/c1-26-18-10-6-5-7-15(18)13-21-19-12-11-17(14-22-19)24-20(25)23-16-8-3-2-4-9-16/h2-12,14H,13H2,1H3,(H,21,22)(H2,23,24,25)
InChIKeyWGMTYJXLMDPFQD-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.35
Rot. Bonds6

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

1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea (PubChem CID 113012390) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea.

Molecular Properties

Compound Name1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea
PubChem CID113012390
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea
SMILESCOc1ccccc1CNc1ccc(NC(=O)Nc2ccccc2)cn1
InChIInChI=1S/C20H20N4O2/c1-26-18-10-6-5-7-15(18)13-21-19-12-11-17(14-22-19)24-20(25)23-16-8-3-2-4-9-16/h2-12,14H,13H2,1H3,(H,21,22)(H2,23,24,25)
InChIKeyWGMTYJXLMDPFQD-UHFFFAOYSA-N
XLogP4.35
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3-phenylurea
CID 113041714
N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide
CID 113012346
2-ethyl-N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]butanamide
CID 113012347
2-(4-methoxyphenyl)-N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]acetamide
CID 113012370
N-[4-(dimethylamino)phenyl]-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157116
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]-3-phenylpropanamide
CID 113027345
N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113012399
ethyl N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]carbamate
CID 113027367
1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea
CID 113009091
1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113020117
2-(4-fluorophenyl)-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]acetamide
CID 113027342
1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-phenylurea
CID 113014714

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea?
The IUPAC name of 1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea (CID 113012390) is 1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea.
What is the SMILES notation for 1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea?
The canonical SMILES for 1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea is COc1ccccc1CNc1ccc(NC(=O)Nc2ccccc2)cn1.
What is the InChIKey of 1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea?
The InChIKey is WGMTYJXLMDPFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-18-10-6-5-7-15(18)13-21-19-12-11-17(14-22-19)24-20(25)23-16-8-3-2-4-9-16/h2-12,14H,13H2,1H3,(H,21,22)(H2,23,24,25).
What are the key properties of 1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea?
1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea has a molecular weight of 348.41 g/mol, XLogP of 4.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea is sourced from PubChem (CID 113012390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).