1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea

C11H17N3O2 — CID 47042582

IUPAC1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea
SMILESCOc1ncccc1NC(=O)NCC(C)C
InChIInChI=1S/C11H17N3O2/c1-8(2)7-13-11(15)14-9-5-4-6-12-10(9)16-3/h4-6,8H,7H2,1-3H3,(H2,13,14,15)
InChIKeyAIWGHOJPVVPWIQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.87
Rot. Bonds4

About 1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea

1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea (PubChem CID 47042582) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea
PubChem CID47042582
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea
SMILESCOc1ncccc1NC(=O)NCC(C)C
InChIInChI=1S/C11H17N3O2/c1-8(2)7-13-11(15)14-9-5-4-6-12-10(9)16-3/h4-6,8H,7H2,1-3H3,(H2,13,14,15)
InChIKeyAIWGHOJPVVPWIQ-UHFFFAOYSA-N
XLogP1.87
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea
CID 47042553
3-chloro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide
CID 62727393
1-(2-methoxyethyl)-3-(2-methoxy-3-pyridinyl)urea
CID 47223034
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(2-methoxy-3-pyridinyl)urea
CID 94181212
1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea
CID 94031147
1-[2-(benzenesulfonyl)ethyl]-3-(2-methoxy-3-pyridinyl)urea
CID 51085372
2-bromo-N-(2-methoxy-3-pyridinyl)butanamide
CID 62854131
2-hydroxy-N-(2-methoxy-3-pyridinyl)acetamide
CID 126992524
1-(3-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea
CID 112831617
1-(2-methoxy-3-pyridinyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47260319
1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94178810
1-(2-methoxy-3-pyridinyl)-3-[(3-methyl-4-pyridinyl)methyl]urea
CID 126792773

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea (CID 47042582) is 1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea is COc1ncccc1NC(=O)NCC(C)C.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea?
The InChIKey is AIWGHOJPVVPWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(2)7-13-11(15)14-9-5-4-6-12-10(9)16-3/h4-6,8H,7H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea?
1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea has a molecular weight of 223.28 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea is sourced from PubChem (CID 47042582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).