1-[[4,5-bis(phenylmethoxy)pyridine-2-carbonyl]amino]-1-[(2R)-2,3-dihydroxypropyl]urea

C24H26N4O6 — CID 67427761

IUPAC1-[[4,5-bis(phenylmethoxy)pyridine-2-carbonyl]amino]-1-[(2R)-2,3-dihydroxypropyl]urea
SMILESNC(=O)N(C[C@@H](O)CO)NC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)cn1
InChIInChI=1S/C24H26N4O6/c25-24(32)28(13-19(30)14-29)27-23(31)20-11-21(33-15-17-7-3-1-4-8-17)22(12-26-20)34-16-18-9-5-2-6-10-18/h1-12,19,29-30H,13-16H2,(H2,25,32)(H,27,31)/t19-/m1/s1
InChIKeyXSUXAJYAQSCMER-LJQANCHMSA-N
MW466.49 g/mol
LogP1.62
Rot. Bonds10

About 1-[[4,5-bis(phenylmethoxy)pyridine-2-carbonyl]amino]-1-[(2R)-2,3-dihydroxypropyl]urea

1-[[4,5-bis(phenylmethoxy)pyridine-2-carbonyl]amino]-1-[(2R)-2,3-dihydroxypropyl]urea (PubChem CID 67427761) has the molecular formula C24H26N4O6 and a molecular weight of 466.49 g/mol. Its IUPAC name is 1-[[4,5-bis(phenylmethoxy)pyridine-2-carbonyl]amino]-1-[(2R)-2,3-dihydroxypropyl]urea.

Molecular Properties

Compound Name1-[[4,5-bis(phenylmethoxy)pyridine-2-carbonyl]amino]-1-[(2R)-2,3-dihydroxypropyl]urea
PubChem CID67427761
Molecular FormulaC24H26N4O6
Molecular Weight466.49 g/mol
Exact Mass466.19
IUPAC Name1-[[4,5-bis(phenylmethoxy)pyridine-2-carbonyl]amino]-1-[(2R)-2,3-dihydroxypropyl]urea
SMILESNC(=O)N(C[C@@H](O)CO)NC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)cn1
InChIInChI=1S/C24H26N4O6/c25-24(32)28(13-19(30)14-29)27-23(31)20-11-21(33-15-17-7-3-1-4-8-17)22(12-26-20)34-16-18-9-5-2-6-10-18/h1-12,19,29-30H,13-16H2,(H2,25,32)(H,27,31)/t19-/m1/s1
InChIKeyXSUXAJYAQSCMER-LJQANCHMSA-N
XLogP1.62
TPSA147.24 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2S)-2,3-dihydroxypropyl]-4,5-bis(phenylmethoxy)pyridine-2-carbohydrazide
CID 141272415
1-[[4,5-bis(phenylmethoxy)pyridine-2-carbonyl]amino]-3-(cyanomethyl)urea
CID 87395926
1-[[4,5-bis(phenylmethoxy)pyridine-2-carbonyl]amino]-3-(isocyanomethyl)urea
CID 59374360
N-methoxy-4,5-bis(phenylmethoxy)-N-propylpyridine-2-carboxamide
CID 167171278
benzyl N-(2,3-dihydroxypropyl)-N-ethylcarbamate
CID 139796649
benzyl (2R)-2-[(5-carbamoylpyrazine-2-carbonyl)-[(2R)-3-hydroxy-1-oxo-1-phenylmethoxypropan-2-yl]amino]-3-hydroxypropanoate
CID 67439469
2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide
CID 155221310
2,3,4-trihydroxy-N-phenylmethoxybutanamide
CID 130149986
(Z)-5,6-dihydroxy-2,3-bis(phenylmethoxy)hex-2-enoic acid
CID 144596973
methyl 2-hydroxy-2-[1-hydroxy-4,5-bis(phenylmethoxy)pyridin-1-ium-2-yl]acetate
CID 139364643
benzyl 2-(2,3-dihydroxypropylsulfinyl)propanoate
CID 123117580
3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid
CID 142645838

Frequently Asked Questions

What is the IUPAC name of 1-[[4,5-bis(phenylmethoxy)pyridine-2-carbonyl]amino]-1-[(2R)-2,3-dihydroxypropyl]urea?
The IUPAC name of 1-[[4,5-bis(phenylmethoxy)pyridine-2-carbonyl]amino]-1-[(2R)-2,3-dihydroxypropyl]urea (CID 67427761) is 1-[[4,5-bis(phenylmethoxy)pyridine-2-carbonyl]amino]-1-[(2R)-2,3-dihydroxypropyl]urea.
What is the SMILES notation for 1-[[4,5-bis(phenylmethoxy)pyridine-2-carbonyl]amino]-1-[(2R)-2,3-dihydroxypropyl]urea?
The canonical SMILES for 1-[[4,5-bis(phenylmethoxy)pyridine-2-carbonyl]amino]-1-[(2R)-2,3-dihydroxypropyl]urea is NC(=O)N(C[C@@H](O)CO)NC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)cn1.
What is the InChIKey of 1-[[4,5-bis(phenylmethoxy)pyridine-2-carbonyl]amino]-1-[(2R)-2,3-dihydroxypropyl]urea?
The InChIKey is XSUXAJYAQSCMER-LJQANCHMSA-N. The full InChI is InChI=1S/C24H26N4O6/c25-24(32)28(13-19(30)14-29)27-23(31)20-11-21(33-15-17-7-3-1-4-8-17)22(12-26-20)34-16-18-9-5-2-6-10-18/h1-12,19,29-30H,13-16H2,(H2,25,32)(H,27,31)/t19-/m1/s1.
What are the key properties of 1-[[4,5-bis(phenylmethoxy)pyridine-2-carbonyl]amino]-1-[(2R)-2,3-dihydroxypropyl]urea?
1-[[4,5-bis(phenylmethoxy)pyridine-2-carbonyl]amino]-1-[(2R)-2,3-dihydroxypropyl]urea has a molecular weight of 466.49 g/mol, XLogP of 1.62, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4,5-bis(phenylmethoxy)pyridine-2-carbonyl]amino]-1-[(2R)-2,3-dihydroxypropyl]urea is sourced from PubChem (CID 67427761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).