1-(1-methyl-2-oxo-3-pyridinyl)-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]urea

C20H20N4O2 — CID 97020819

IUPAC1-(1-methyl-2-oxo-3-pyridinyl)-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]urea
SMILESC[C@H](NC(=O)Nc1cccn(C)c1=O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C20H20N4O2/c1-14(22-20(26)23-18-6-4-12-24(2)19(18)25)15-7-9-16(10-8-15)17-5-3-11-21-13-17/h3-14H,1-2H3,(H2,22,23,26)/t14-/m0/s1
InChIKeyXATULIIAUOJIAM-AWEZNQCLSA-N
MW348.41 g/mol
LogP3.33
Rot. Bonds4

About 1-(1-methyl-2-oxo-3-pyridinyl)-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]urea

1-(1-methyl-2-oxo-3-pyridinyl)-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]urea (PubChem CID 97020819) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-(1-methyl-2-oxo-3-pyridinyl)-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(1-methyl-2-oxo-3-pyridinyl)-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]urea
PubChem CID97020819
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-(1-methyl-2-oxo-3-pyridinyl)-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]urea
SMILESC[C@H](NC(=O)Nc1cccn(C)c1=O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C20H20N4O2/c1-14(22-20(26)23-18-6-4-12-24(2)19(18)25)15-7-9-16(10-8-15)17-5-3-11-21-13-17/h3-14H,1-2H3,(H2,22,23,26)/t14-/m0/s1
InChIKeyXATULIIAUOJIAM-AWEZNQCLSA-N
XLogP3.33
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-methyl-2-oxo-3-pyridinyl)-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]urea with MolForge

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Related Compounds

1-prop-2-ynyl-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]urea
CID 96524118
1-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 95782892
1-[(2R)-3-methylbutan-2-yl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 97317767
1-(3-hydroxypropyl)-3-[1-(4-pyridin-3-ylphenyl)ethyl]urea
CID 111619428
1-[(2S)-1-hydroxybutan-2-yl]-3-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]urea
CID 97096200
2-(methylamino)-N-[1-(4-pyridin-3-ylphenyl)ethyl]acetamide
CID 120704866
1-(1-hydroxy-4-methylpentan-3-yl)-3-[1-(4-pyridin-3-ylphenyl)ethyl]urea
CID 111619429
1,5-dimethyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 96567499
1-(2-methoxy-2-methylpropyl)-3-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]urea
CID 97020818
1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea
CID 18129096
1-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 99714676
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[1-(4-pyridin-3-ylphenyl)ethyl]acetamide
CID 166309313

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxo-3-pyridinyl)-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]urea?
The IUPAC name of 1-(1-methyl-2-oxo-3-pyridinyl)-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]urea (CID 97020819) is 1-(1-methyl-2-oxo-3-pyridinyl)-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-(1-methyl-2-oxo-3-pyridinyl)-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]urea?
The canonical SMILES for 1-(1-methyl-2-oxo-3-pyridinyl)-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]urea is C[C@H](NC(=O)Nc1cccn(C)c1=O)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of 1-(1-methyl-2-oxo-3-pyridinyl)-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]urea?
The InChIKey is XATULIIAUOJIAM-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14(22-20(26)23-18-6-4-12-24(2)19(18)25)15-7-9-16(10-8-15)17-5-3-11-21-13-17/h3-14H,1-2H3,(H2,22,23,26)/t14-/m0/s1.
What are the key properties of 1-(1-methyl-2-oxo-3-pyridinyl)-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]urea?
1-(1-methyl-2-oxo-3-pyridinyl)-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]urea has a molecular weight of 348.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxo-3-pyridinyl)-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]urea is sourced from PubChem (CID 97020819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).