1-cyclohexyl-1-ethyl-3-[(2-methoxy-4-pyridinyl)methyl]urea

C16H25N3O2 — CID 87003445

IUPAC1-cyclohexyl-1-ethyl-3-[(2-methoxy-4-pyridinyl)methyl]urea
SMILESCCN(C(=O)NCc1ccnc(OC)c1)C1CCCCC1
InChIInChI=1S/C16H25N3O2/c1-3-19(14-7-5-4-6-8-14)16(20)18-12-13-9-10-17-15(11-13)21-2/h9-11,14H,3-8,12H2,1-2H3,(H,18,20)
InChIKeyYULJDIGJCOIVRY-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.95
Rot. Bonds5

About 1-cyclohexyl-1-ethyl-3-[(2-methoxy-4-pyridinyl)methyl]urea

1-cyclohexyl-1-ethyl-3-[(2-methoxy-4-pyridinyl)methyl]urea (PubChem CID 87003445) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethyl-3-[(2-methoxy-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-1-ethyl-3-[(2-methoxy-4-pyridinyl)methyl]urea
PubChem CID87003445
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-cyclohexyl-1-ethyl-3-[(2-methoxy-4-pyridinyl)methyl]urea
SMILESCCN(C(=O)NCc1ccnc(OC)c1)C1CCCCC1
InChIInChI=1S/C16H25N3O2/c1-3-19(14-7-5-4-6-8-14)16(20)18-12-13-9-10-17-15(11-13)21-2/h9-11,14H,3-8,12H2,1-2H3,(H,18,20)
InChIKeyYULJDIGJCOIVRY-UHFFFAOYSA-N
XLogP2.95
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167308
N-[(2-methoxy-4-pyridinyl)methyl]cyclopropanecarboxamide
CID 60715595
2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 87003451
N-cycloheptyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide
CID 62989722
3-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 86919796
N-ethyl-N-[(1S,3R)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 142389774
(2S)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 94871507
(2R)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 96999867
2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815599
N-cyclohexyl-2-[(2-methoxy-4-pyridinyl)methylamino]propanamide
CID 62990615
3-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methyl-1-(3-methylcyclohexyl)urea
CID 112835458
N,N-diethyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide
CID 55141134

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethyl-3-[(2-methoxy-4-pyridinyl)methyl]urea?
The IUPAC name of 1-cyclohexyl-1-ethyl-3-[(2-methoxy-4-pyridinyl)methyl]urea (CID 87003445) is 1-cyclohexyl-1-ethyl-3-[(2-methoxy-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-cyclohexyl-1-ethyl-3-[(2-methoxy-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-cyclohexyl-1-ethyl-3-[(2-methoxy-4-pyridinyl)methyl]urea is CCN(C(=O)NCc1ccnc(OC)c1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-ethyl-3-[(2-methoxy-4-pyridinyl)methyl]urea?
The InChIKey is YULJDIGJCOIVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-19(14-7-5-4-6-8-14)16(20)18-12-13-9-10-17-15(11-13)21-2/h9-11,14H,3-8,12H2,1-2H3,(H,18,20).
What are the key properties of 1-cyclohexyl-1-ethyl-3-[(2-methoxy-4-pyridinyl)methyl]urea?
1-cyclohexyl-1-ethyl-3-[(2-methoxy-4-pyridinyl)methyl]urea has a molecular weight of 291.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-ethyl-3-[(2-methoxy-4-pyridinyl)methyl]urea is sourced from PubChem (CID 87003445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).