1-(6-methoxy-3-pyridinyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea

C17H21N5O3 — CID 51078466

IUPAC1-(6-methoxy-3-pyridinyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2ccc(N3CCOCC3)nc2)cn1
InChIInChI=1S/C17H21N5O3/c1-24-16-5-3-14(12-19-16)21-17(23)20-11-13-2-4-15(18-10-13)22-6-8-25-9-7-22/h2-5,10,12H,6-9,11H2,1H3,(H2,20,21,23)
InChIKeyZKLNNEGXZZKBDR-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.64
Rot. Bonds5

About 1-(6-methoxy-3-pyridinyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea

1-(6-methoxy-3-pyridinyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea (PubChem CID 51078466) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
PubChem CID51078466
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name1-(6-methoxy-3-pyridinyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2ccc(N3CCOCC3)nc2)cn1
InChIInChI=1S/C17H21N5O3/c1-24-16-5-3-14(12-19-16)21-17(23)20-11-13-2-4-15(18-10-13)22-6-8-25-9-7-22/h2-5,10,12H,6-9,11H2,1H3,(H2,20,21,23)
InChIKeyZKLNNEGXZZKBDR-UHFFFAOYSA-N
XLogP1.64
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(6-methoxy-3-pyridinyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea with MolForge

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Related Compounds

1-(2-methoxyphenyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 41430289
2-methoxy-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47303387
1-(2-hydroxypropyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47221090
1-[(2S)-1-methoxypropan-2-yl]-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 34669155
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
1-(4-aminophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 62991565
tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate
CID 63787976
2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid
CID 114897147
1-[(2S)-2-hydroxy-2-methylbutyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 95156925
(1R)-2,2-dichloro-1-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 42473931
3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 62727165
4-(methoxymethyl)-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120640895

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea (CID 51078466) is 1-(6-methoxy-3-pyridinyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea is COc1ccc(NC(=O)NCc2ccc(N3CCOCC3)nc2)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea?
The InChIKey is ZKLNNEGXZZKBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-24-16-5-3-14(12-19-16)21-17(23)20-11-13-2-4-15(18-10-13)22-6-8-25-9-7-22/h2-5,10,12H,6-9,11H2,1H3,(H2,20,21,23).
What are the key properties of 1-(6-methoxy-3-pyridinyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea?
1-(6-methoxy-3-pyridinyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea has a molecular weight of 343.39 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 51078466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).