1-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)urea

C18H22N4O — CID 99828968

IUPAC1-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)urea
SMILESCc1cc(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)ccn1
InChIInChI=1S/C18H22N4O/c1-13-12-15(8-10-19-13)20-18(23)21-16-9-11-22(2)17(16)14-6-4-3-5-7-14/h3-8,10,12,16-17H,9,11H2,1-2H3,(H2,19,20,21,23)/t16-,17-/m1/s1
InChIKeyANHSCVCCYGHMIS-IAGOWNOFSA-N
MW310.40 g/mol
LogP2.96
Rot. Bonds3

About 1-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)urea

1-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)urea (PubChem CID 99828968) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)urea
PubChem CID99828968
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)urea
SMILESCc1cc(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)ccn1
InChIInChI=1S/C18H22N4O/c1-13-12-15(8-10-19-13)20-18(23)21-16-9-11-22(2)17(16)14-6-4-3-5-7-14/h3-8,10,12,16-17H,9,11H2,1-2H3,(H2,19,20,21,23)/t16-,17-/m1/s1
InChIKeyANHSCVCCYGHMIS-IAGOWNOFSA-N
XLogP2.96
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)urea?
The IUPAC name of 1-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)urea (CID 99828968) is 1-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)urea.
What is the SMILES notation for 1-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)urea?
The canonical SMILES for 1-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)urea is Cc1cc(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)ccn1.
What is the InChIKey of 1-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)urea?
The InChIKey is ANHSCVCCYGHMIS-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-12-15(8-10-19-13)20-18(23)21-16-9-11-22(2)17(16)14-6-4-3-5-7-14/h3-8,10,12,16-17H,9,11H2,1-2H3,(H2,19,20,21,23)/t16-,17-/m1/s1.
What are the key properties of 1-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)urea?
1-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)urea has a molecular weight of 310.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)urea is sourced from PubChem (CID 99828968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).