1-(2-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylurea

C11H16N4O2 — CID 100763708

IUPAC1-(2-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylurea
SMILESCOc1ncccc1NC(=O)NN1CCCC1
InChIInChI=1S/C11H16N4O2/c1-17-10-9(5-4-6-12-10)13-11(16)14-15-7-2-3-8-15/h4-6H,2-3,7-8H2,1H3,(H2,13,14,16)
InChIKeyBKOKEKJBEDBDHI-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.22
Rot. Bonds3

About 1-(2-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylurea

1-(2-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylurea (PubChem CID 100763708) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylurea.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylurea
PubChem CID100763708
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-(2-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylurea
SMILESCOc1ncccc1NC(=O)NN1CCCC1
InChIInChI=1S/C11H16N4O2/c1-17-10-9(5-4-6-12-10)13-11(16)14-15-7-2-3-8-15/h4-6H,2-3,7-8H2,1H3,(H2,13,14,16)
InChIKeyBKOKEKJBEDBDHI-UHFFFAOYSA-N
XLogP1.22
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 47042553
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CID 47264478
N-(2-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
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1-(2-methoxyethyl)-3-(2-methoxy-3-pyridinyl)urea
CID 47223034
1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea
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CID 47222931
2-hydroxy-N-(2-methoxy-3-pyridinyl)acetamide
CID 126992524
3-[(4-methylpiperazin-1-yl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743816
methyl 2-[(2-methoxy-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylate
CID 71857049
1-(2-methoxy-3-pyridinyl)-3-[(3R)-2-oxopiperidin-3-yl]urea
CID 94796982
1-(2-methoxy-3-pyridinyl)-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94030553
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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylurea?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylurea (CID 100763708) is 1-(2-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylurea.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylurea?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylurea is COc1ncccc1NC(=O)NN1CCCC1.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylurea?
The InChIKey is BKOKEKJBEDBDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-17-10-9(5-4-6-12-10)13-11(16)14-15-7-2-3-8-15/h4-6H,2-3,7-8H2,1H3,(H2,13,14,16).
What are the key properties of 1-(2-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylurea?
1-(2-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylurea has a molecular weight of 236.27 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylurea is sourced from PubChem (CID 100763708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).