1-[(6-methoxy-3-pyridinyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea

C18H28N4O4 — CID 94057278

IUPAC1-[(6-methoxy-3-pyridinyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea
SMILESCOc1ccc(CNC(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cn1
InChIInChI=1S/C18H28N4O4/c1-24-17-3-2-14(10-19-17)11-20-18(23)21-12-16(15-4-7-26-13-15)22-5-8-25-9-6-22/h2-3,10,15-16H,4-9,11-13H2,1H3,(H2,20,21,23)/t15-,16-/m1/s1
InChIKeyKBLOJAXXRDFLDY-HZPDHXFCSA-N
MW364.45 g/mol
LogP0.63
Rot. Bonds7

About 1-[(6-methoxy-3-pyridinyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea

1-[(6-methoxy-3-pyridinyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea (PubChem CID 94057278) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[(6-methoxy-3-pyridinyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-[(6-methoxy-3-pyridinyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea
PubChem CID94057278
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name1-[(6-methoxy-3-pyridinyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea
SMILESCOc1ccc(CNC(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cn1
InChIInChI=1S/C18H28N4O4/c1-24-17-3-2-14(10-19-17)11-20-18(23)21-12-16(15-4-7-26-13-15)22-5-8-25-9-6-22/h2-3,10,15-16H,4-9,11-13H2,1H3,(H2,20,21,23)/t15-,16-/m1/s1
InChIKeyKBLOJAXXRDFLDY-HZPDHXFCSA-N
XLogP0.63
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(6-methoxy-3-pyridinyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-[(3-methylthiophen-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55792498
2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide
CID 94150138
2-methoxy-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide
CID 94024269
1-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-3-pyridin-4-ylurea
CID 94030463
1-(6-methoxy-3-pyridinyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 51078466
1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55696727
1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55590697
N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide
CID 166245926
4-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]oxane-4-carboxamide
CID 62993835
5-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 94022952
(2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide
CID 94150246
2-(4-chlorophenoxy)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]acetamide
CID 55602811

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-3-pyridinyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea?
The IUPAC name of 1-[(6-methoxy-3-pyridinyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea (CID 94057278) is 1-[(6-methoxy-3-pyridinyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea.
What is the SMILES notation for 1-[(6-methoxy-3-pyridinyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea?
The canonical SMILES for 1-[(6-methoxy-3-pyridinyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea is COc1ccc(CNC(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cn1.
What is the InChIKey of 1-[(6-methoxy-3-pyridinyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea?
The InChIKey is KBLOJAXXRDFLDY-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-24-17-3-2-14(10-19-17)11-20-18(23)21-12-16(15-4-7-26-13-15)22-5-8-25-9-6-22/h2-3,10,15-16H,4-9,11-13H2,1H3,(H2,20,21,23)/t15-,16-/m1/s1.
What are the key properties of 1-[(6-methoxy-3-pyridinyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea?
1-[(6-methoxy-3-pyridinyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea has a molecular weight of 364.45 g/mol, XLogP of 0.63, 7 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)methyl]-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea is sourced from PubChem (CID 94057278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).