1-[3-(dimethylamino)-2-methylphenyl]-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea

C19H25N5O — CID 97335866

IUPAC1-[3-(dimethylamino)-2-methylphenyl]-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
SMILESCc1c(NC(=O)N[C@@H]2CCN(c3ccccn3)C2)cccc1N(C)C
InChIInChI=1S/C19H25N5O/c1-14-16(7-6-8-17(14)23(2)3)22-19(25)21-15-10-12-24(13-15)18-9-4-5-11-20-18/h4-9,11,15H,10,12-13H2,1-3H3,(H2,21,22,25)/t15-/m1/s1
InChIKeyQLKXFRDTVMOCBC-OAHLLOKOSA-N
MW339.44 g/mol
LogP2.86
Rot. Bonds4

About 1-[3-(dimethylamino)-2-methylphenyl]-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea

1-[3-(dimethylamino)-2-methylphenyl]-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea (PubChem CID 97335866) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-2-methylphenyl]-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)-2-methylphenyl]-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
PubChem CID97335866
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-[3-(dimethylamino)-2-methylphenyl]-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
SMILESCc1c(NC(=O)N[C@@H]2CCN(c3ccccn3)C2)cccc1N(C)C
InChIInChI=1S/C19H25N5O/c1-14-16(7-6-8-17(14)23(2)3)22-19(25)21-15-10-12-24(13-15)18-9-4-5-11-20-18/h4-9,11,15H,10,12-13H2,1-3H3,(H2,21,22,25)/t15-/m1/s1
InChIKeyQLKXFRDTVMOCBC-OAHLLOKOSA-N
XLogP2.86
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-difluorophenyl)-3-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241131
1-(2,3-difluorophenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241132
ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 91102074
1-(3-fluoro-4-pyridinyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 75506392
1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621421
1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 124854450
1-(4-ethoxyphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 99713321
1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 75433407
4-[[3-(dimethylamino)-2-methylphenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122088906
1-(2-phenylpyrimidin-5-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 126772803
1-(4-bromo-2-methylphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989163
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-2-methylphenyl]-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea?
The IUPAC name of 1-[3-(dimethylamino)-2-methylphenyl]-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea (CID 97335866) is 1-[3-(dimethylamino)-2-methylphenyl]-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[3-(dimethylamino)-2-methylphenyl]-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-[3-(dimethylamino)-2-methylphenyl]-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea is Cc1c(NC(=O)N[C@@H]2CCN(c3ccccn3)C2)cccc1N(C)C.
What is the InChIKey of 1-[3-(dimethylamino)-2-methylphenyl]-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea?
The InChIKey is QLKXFRDTVMOCBC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-16(7-6-8-17(14)23(2)3)22-19(25)21-15-10-12-24(13-15)18-9-4-5-11-20-18/h4-9,11,15H,10,12-13H2,1-3H3,(H2,21,22,25)/t15-/m1/s1.
What are the key properties of 1-[3-(dimethylamino)-2-methylphenyl]-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea?
1-[3-(dimethylamino)-2-methylphenyl]-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea has a molecular weight of 339.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-2-methylphenyl]-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea is sourced from PubChem (CID 97335866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).