1-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(2,3-dimethylphenyl)urea

C19H23N3O — CID 97454673

IUPAC1-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(2,3-dimethylphenyl)urea
SMILESCc1cccc([C@H](NC(=O)Nc2cccc(C)c2C)C2CC2)n1
InChIInChI=1S/C19H23N3O/c1-12-6-4-8-16(14(12)3)21-19(23)22-18(15-10-11-15)17-9-5-7-13(2)20-17/h4-9,15,18H,10-11H2,1-3H3,(H2,21,22,23)/t18-/m1/s1
InChIKeyJPEWRCGJONQRBW-GOSISDBHSA-N
MW309.41 g/mol
LogP4.28
Rot. Bonds4

About 1-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(2,3-dimethylphenyl)urea

1-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(2,3-dimethylphenyl)urea (PubChem CID 97454673) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(2,3-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(2,3-dimethylphenyl)urea
PubChem CID97454673
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(2,3-dimethylphenyl)urea
SMILESCc1cccc([C@H](NC(=O)Nc2cccc(C)c2C)C2CC2)n1
InChIInChI=1S/C19H23N3O/c1-12-6-4-8-16(14(12)3)21-19(23)22-18(15-10-11-15)17-9-5-7-13(2)20-17/h4-9,15,18H,10-11H2,1-3H3,(H2,21,22,23)/t18-/m1/s1
InChIKeyJPEWRCGJONQRBW-GOSISDBHSA-N
XLogP4.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 74231777
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4-propan-2-yloxybenzamide
CID 118766529
3-(2-chlorophenyl)-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]propanamide
CID 118787329
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-methylimidazole-4-carboxamide
CID 118778490
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide
CID 70738649
N-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 125164990
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 119062587
N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide
CID 97127947
N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
CID 125159205
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 131907551
1-(2,3-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890295
3-[(2,3-dimethylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 113416485

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(2,3-dimethylphenyl)urea?
The IUPAC name of 1-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(2,3-dimethylphenyl)urea (CID 97454673) is 1-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(2,3-dimethylphenyl)urea.
What is the SMILES notation for 1-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(2,3-dimethylphenyl)urea?
The canonical SMILES for 1-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(2,3-dimethylphenyl)urea is Cc1cccc([C@H](NC(=O)Nc2cccc(C)c2C)C2CC2)n1.
What is the InChIKey of 1-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(2,3-dimethylphenyl)urea?
The InChIKey is JPEWRCGJONQRBW-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23N3O/c1-12-6-4-8-16(14(12)3)21-19(23)22-18(15-10-11-15)17-9-5-7-13(2)20-17/h4-9,15,18H,10-11H2,1-3H3,(H2,21,22,23)/t18-/m1/s1.
What are the key properties of 1-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(2,3-dimethylphenyl)urea?
1-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(2,3-dimethylphenyl)urea has a molecular weight of 309.41 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(2,3-dimethylphenyl)urea is sourced from PubChem (CID 97454673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).