[(1R)-3-oxo-1-(3-phenoxyphenyl)-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]urea

C22H21N5O4 — CID 9333202

IUPAC[(1R)-3-oxo-1-(3-phenoxyphenyl)-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]urea
SMILESNC(=O)N[C@H](CC(=O)NNC(=O)c1ccccn1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H21N5O4/c23-22(30)25-19(14-20(28)26-27-21(29)18-11-4-5-12-24-18)15-7-6-10-17(13-15)31-16-8-2-1-3-9-16/h1-13,19H,14H2,(H,26,28)(H,27,29)(H3,23,25,30)/t19-/m1/s1
InChIKeyOXMCFDLZVVDQRP-LJQANCHMSA-N
MW419.44 g/mol
LogP2.43
Rot. Bonds7

About [(1R)-3-oxo-1-(3-phenoxyphenyl)-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]urea

[(1R)-3-oxo-1-(3-phenoxyphenyl)-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]urea (PubChem CID 9333202) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is [(1R)-3-oxo-1-(3-phenoxyphenyl)-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]urea.

Molecular Properties

Compound Name[(1R)-3-oxo-1-(3-phenoxyphenyl)-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]urea
PubChem CID9333202
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name[(1R)-3-oxo-1-(3-phenoxyphenyl)-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]urea
SMILESNC(=O)N[C@H](CC(=O)NNC(=O)c1ccccn1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H21N5O4/c23-22(30)25-19(14-20(28)26-27-21(29)18-11-4-5-12-24-18)15-7-6-10-17(13-15)31-16-8-2-1-3-9-16/h1-13,19H,14H2,(H,26,28)(H,27,29)(H3,23,25,30)/t19-/m1/s1
InChIKeyOXMCFDLZVVDQRP-LJQANCHMSA-N
XLogP2.43
TPSA135.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide
CID 9215141
[1-(3-bromophenyl)-3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]urea
CID 24638054
(3R)-3-(carbamoylamino)-N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide
CID 9412253
(2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
CID 8008898
N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119496074
3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide
CID 119430711
N-(1-amino-2-methylpropan-2-yl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide;hydrochloride
CID 119522332
(3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-piperidin-1-ylpropanamide
CID 9271549
N-(6-anilino-3-pyridinyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 146152381
3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-(3-phenoxyphenyl)propanamide
CID 42908374
N-(2-amino-2-ethylbutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119640789
(3R)-3-(carbamoylamino)-N-(4-ethylphenyl)-3-(3-phenoxyphenyl)propanamide
CID 9213620

Frequently Asked Questions

What is the IUPAC name of [(1R)-3-oxo-1-(3-phenoxyphenyl)-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]urea?
The IUPAC name of [(1R)-3-oxo-1-(3-phenoxyphenyl)-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]urea (CID 9333202) is [(1R)-3-oxo-1-(3-phenoxyphenyl)-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]urea.
What is the SMILES notation for [(1R)-3-oxo-1-(3-phenoxyphenyl)-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]urea?
The canonical SMILES for [(1R)-3-oxo-1-(3-phenoxyphenyl)-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]urea is NC(=O)N[C@H](CC(=O)NNC(=O)c1ccccn1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of [(1R)-3-oxo-1-(3-phenoxyphenyl)-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]urea?
The InChIKey is OXMCFDLZVVDQRP-LJQANCHMSA-N. The full InChI is InChI=1S/C22H21N5O4/c23-22(30)25-19(14-20(28)26-27-21(29)18-11-4-5-12-24-18)15-7-6-10-17(13-15)31-16-8-2-1-3-9-16/h1-13,19H,14H2,(H,26,28)(H,27,29)(H3,23,25,30)/t19-/m1/s1.
What are the key properties of [(1R)-3-oxo-1-(3-phenoxyphenyl)-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]urea?
[(1R)-3-oxo-1-(3-phenoxyphenyl)-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]urea has a molecular weight of 419.44 g/mol, XLogP of 2.43, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3-oxo-1-(3-phenoxyphenyl)-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]urea is sourced from PubChem (CID 9333202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).