1-[(6-methyl-3-pyridinyl)methyl]-3-[(3R)-1-phenylpyrrolidin-3-yl]urea

C18H22N4O — CID 95759860

IUPAC1-[(6-methyl-3-pyridinyl)methyl]-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
SMILESCc1ccc(CNC(=O)N[C@@H]2CCN(c3ccccc3)C2)cn1
InChIInChI=1S/C18H22N4O/c1-14-7-8-15(11-19-14)12-20-18(23)21-16-9-10-22(13-16)17-5-3-2-4-6-17/h2-8,11,16H,9-10,12-13H2,1H3,(H2,20,21,23)/t16-/m1/s1
InChIKeyQWCHNMWYYKRPTK-MRXNPFEDSA-N
MW310.40 g/mol
LogP2.47
Rot. Bonds4

About 1-[(6-methyl-3-pyridinyl)methyl]-3-[(3R)-1-phenylpyrrolidin-3-yl]urea

1-[(6-methyl-3-pyridinyl)methyl]-3-[(3R)-1-phenylpyrrolidin-3-yl]urea (PubChem CID 95759860) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[(6-methyl-3-pyridinyl)methyl]-3-[(3R)-1-phenylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[(6-methyl-3-pyridinyl)methyl]-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
PubChem CID95759860
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-[(6-methyl-3-pyridinyl)methyl]-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
SMILESCc1ccc(CNC(=O)N[C@@H]2CCN(c3ccccc3)C2)cn1
InChIInChI=1S/C18H22N4O/c1-14-7-8-15(11-19-14)12-20-18(23)21-16-9-10-22(13-16)17-5-3-2-4-6-17/h2-8,11,16H,9-10,12-13H2,1H3,(H2,20,21,23)/t16-/m1/s1
InChIKeyQWCHNMWYYKRPTK-MRXNPFEDSA-N
XLogP2.47
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methyl-2-pyridinyl)methyl]-3-[(3R)-1-phenylpiperidin-3-yl]urea
CID 124563812
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111909613
ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide
CID 167597146
1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-phenylpyrrolidin-3-yl)urea
CID 111722407
2-methyl-1-[(4-methylphenyl)methyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111909703
1-benzyl-3-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]urea
CID 53185666
1-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 96530358
4-[(6-methyl-3-pyridinyl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79216431
1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111909618
N-[1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]acetamide
CID 138534083
1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea
CID 124742813

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-3-pyridinyl)methyl]-3-[(3R)-1-phenylpyrrolidin-3-yl]urea?
The IUPAC name of 1-[(6-methyl-3-pyridinyl)methyl]-3-[(3R)-1-phenylpyrrolidin-3-yl]urea (CID 95759860) is 1-[(6-methyl-3-pyridinyl)methyl]-3-[(3R)-1-phenylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[(6-methyl-3-pyridinyl)methyl]-3-[(3R)-1-phenylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-[(6-methyl-3-pyridinyl)methyl]-3-[(3R)-1-phenylpyrrolidin-3-yl]urea is Cc1ccc(CNC(=O)N[C@@H]2CCN(c3ccccc3)C2)cn1.
What is the InChIKey of 1-[(6-methyl-3-pyridinyl)methyl]-3-[(3R)-1-phenylpyrrolidin-3-yl]urea?
The InChIKey is QWCHNMWYYKRPTK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14-7-8-15(11-19-14)12-20-18(23)21-16-9-10-22(13-16)17-5-3-2-4-6-17/h2-8,11,16H,9-10,12-13H2,1H3,(H2,20,21,23)/t16-/m1/s1.
What are the key properties of 1-[(6-methyl-3-pyridinyl)methyl]-3-[(3R)-1-phenylpyrrolidin-3-yl]urea?
1-[(6-methyl-3-pyridinyl)methyl]-3-[(3R)-1-phenylpyrrolidin-3-yl]urea has a molecular weight of 310.40 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-3-pyridinyl)methyl]-3-[(3R)-1-phenylpyrrolidin-3-yl]urea is sourced from PubChem (CID 95759860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).