1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-morpholin-4-yl-2-pyridinyl]urea

C18H23N7O3 — CID 123264453

IUPAC1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-morpholin-4-yl-2-pyridinyl]urea
SMILESCCNC(=O)Nc1cc(N2CCOCC2)c(-c2cncc(C(=O)NN)c2)cn1
InChIInChI=1S/C18H23N7O3/c1-2-21-18(27)23-16-8-15(25-3-5-28-6-4-25)14(11-22-16)12-7-13(10-20-9-12)17(26)24-19/h7-11H,2-6,19H2,1H3,(H,24,26)(H2,21,22,23,27)
InChIKeyUURJYUSPQIDQRP-UHFFFAOYSA-N
MW385.43 g/mol
LogP0.73
Rot. Bonds5

About 1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-morpholin-4-yl-2-pyridinyl]urea

1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-morpholin-4-yl-2-pyridinyl]urea (PubChem CID 123264453) has the molecular formula C18H23N7O3 and a molecular weight of 385.43 g/mol. Its IUPAC name is 1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-morpholin-4-yl-2-pyridinyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-morpholin-4-yl-2-pyridinyl]urea
PubChem CID123264453
Molecular FormulaC18H23N7O3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC Name1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-morpholin-4-yl-2-pyridinyl]urea
SMILESCCNC(=O)Nc1cc(N2CCOCC2)c(-c2cncc(C(=O)NN)c2)cn1
InChIInChI=1S/C18H23N7O3/c1-2-21-18(27)23-16-8-15(25-3-5-28-6-4-25)14(11-22-16)12-7-13(10-20-9-12)17(26)24-19/h7-11H,2-6,19H2,1H3,(H,24,26)(H2,21,22,23,27)
InChIKeyUURJYUSPQIDQRP-UHFFFAOYSA-N
XLogP0.73
TPSA134.50 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]urea
CID 67289083
1-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-5-[5-(hydrazinecarbonyl)-3-pyridinyl]-2-pyridinyl]-3-ethylurea
CID 67289547
ethyl 5-[4-chloro-6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylate
CID 67057296
1-[4-[4-(2,2-dimethyloxan-4-yl)-1,3-thiazol-2-yl]-5-[5-(hydrazinecarbonyl)-3-pyridinyl]-2-pyridinyl]-3-ethylurea
CID 67290861
cyclohexa-2,4-diene-1-carboximidoyl 2-(ethylcarbamoylamino)-5-[5-(hydrazinecarbonyl)-3-pyridinyl]pyridine-4-carboximidate
CID 123962362
5-[4-(4-tert-butyl-1,3-thiazol-2-yl)-6-(ethylcarbamoylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 25126792
1-[5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-ethylurea
CID 89181872
1-[4-anilino-5-(morpholine-4-carbonyl)-2-pyridinyl]-3-ethylurea
CID 71621323
1-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-ethylurea
CID 44514481
ethyl 5-[6-(ethylcarbamoylamino)-4-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylate
CID 67288900
ethane;1-ethyl-3-[4-[4-(1-fluorocyclopropyl)-1,3-thiazol-2-yl]-5-[5-[(2-methylpropanoylamino)carbamoyl]-3-pyridinyl]-2-pyridinyl]urea;molecular hydrogen
CID 143855035
1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methylpiperazin-1-yl)phenyl]urea
CID 177253126

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-morpholin-4-yl-2-pyridinyl]urea?
The IUPAC name of 1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-morpholin-4-yl-2-pyridinyl]urea (CID 123264453) is 1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-morpholin-4-yl-2-pyridinyl]urea.
What is the SMILES notation for 1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-morpholin-4-yl-2-pyridinyl]urea?
The canonical SMILES for 1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-morpholin-4-yl-2-pyridinyl]urea is CCNC(=O)Nc1cc(N2CCOCC2)c(-c2cncc(C(=O)NN)c2)cn1.
What is the InChIKey of 1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-morpholin-4-yl-2-pyridinyl]urea?
The InChIKey is UURJYUSPQIDQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O3/c1-2-21-18(27)23-16-8-15(25-3-5-28-6-4-25)14(11-22-16)12-7-13(10-20-9-12)17(26)24-19/h7-11H,2-6,19H2,1H3,(H,24,26)(H2,21,22,23,27).
What are the key properties of 1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-morpholin-4-yl-2-pyridinyl]urea?
1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-morpholin-4-yl-2-pyridinyl]urea has a molecular weight of 385.43 g/mol, XLogP of 0.73, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-morpholin-4-yl-2-pyridinyl]urea is sourced from PubChem (CID 123264453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).