1-(1-methylpyrrolidin-3-yl)-3-(pyridin-4-ylmethyl)urea

C12H18N4O — CID 72561982

IUPAC1-(1-methylpyrrolidin-3-yl)-3-(pyridin-4-ylmethyl)urea
SMILESCN1CCC(NC(=O)NCc2ccncc2)C1
InChIInChI=1S/C12H18N4O/c1-16-7-4-11(9-16)15-12(17)14-8-10-2-5-13-6-3-10/h2-3,5-6,11H,4,7-9H2,1H3,(H2,14,15,17)
InChIKeyCZEYJBGXRKYILN-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.58
Rot. Bonds3

About 1-(1-methylpyrrolidin-3-yl)-3-(pyridin-4-ylmethyl)urea

1-(1-methylpyrrolidin-3-yl)-3-(pyridin-4-ylmethyl)urea (PubChem CID 72561982) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-3-yl)-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-3-yl)-3-(pyridin-4-ylmethyl)urea
PubChem CID72561982
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-(1-methylpyrrolidin-3-yl)-3-(pyridin-4-ylmethyl)urea
SMILESCN1CCC(NC(=O)NCc2ccncc2)C1
InChIInChI=1S/C12H18N4O/c1-16-7-4-11(9-16)15-12(17)14-8-10-2-5-13-6-3-10/h2-3,5-6,11H,4,7-9H2,1H3,(H2,14,15,17)
InChIKeyCZEYJBGXRKYILN-UHFFFAOYSA-N
XLogP0.58
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylsulfonylpiperidin-4-yl)-3-(pyridin-4-ylmethyl)urea
CID 110706203
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
1-(pyridin-4-ylmethyl)-3-[(3R)-pyrrolidin-3-yl]urea
CID 86276993
(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96568235
4-[2-[(1-methylpyrrolidin-3-yl)carbamoylamino]ethyl]benzoic acid
CID 61465139
1-(2-hydroxyethyl)-3-(1-methylpyrrolidin-3-yl)urea
CID 117234415
1-[(3,5-dichlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 11645361
1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea
CID 59781432
1-(2-fluoroethyl)-3-(1-methylpyrrolidin-3-yl)urea
CID 131065223
(3R)-1-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 95527743
1-[(4-methylphenyl)methyl]-3-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]urea
CID 53181800
1-benzyl-3-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]urea
CID 53185666

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-3-yl)-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-(1-methylpyrrolidin-3-yl)-3-(pyridin-4-ylmethyl)urea (CID 72561982) is 1-(1-methylpyrrolidin-3-yl)-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-(1-methylpyrrolidin-3-yl)-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-(1-methylpyrrolidin-3-yl)-3-(pyridin-4-ylmethyl)urea is CN1CCC(NC(=O)NCc2ccncc2)C1.
What is the InChIKey of 1-(1-methylpyrrolidin-3-yl)-3-(pyridin-4-ylmethyl)urea?
The InChIKey is CZEYJBGXRKYILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-16-7-4-11(9-16)15-12(17)14-8-10-2-5-13-6-3-10/h2-3,5-6,11H,4,7-9H2,1H3,(H2,14,15,17).
What are the key properties of 1-(1-methylpyrrolidin-3-yl)-3-(pyridin-4-ylmethyl)urea?
1-(1-methylpyrrolidin-3-yl)-3-(pyridin-4-ylmethyl)urea has a molecular weight of 234.30 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-3-yl)-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 72561982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).