1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]urea

C18H20FN3O2 — CID 95141368

IUPAC1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]urea
SMILESCc1cc(C)c(CNC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)c(=O)[nH]1
InChIInChI=1S/C18H20FN3O2/c1-10-6-11(2)21-17(23)15(10)9-20-18(24)22-16-8-14(16)12-4-3-5-13(19)7-12/h3-7,14,16H,8-9H2,1-2H3,(H,21,23)(H2,20,22,24)/t14-,16+/m0/s1
InChIKeyZVUBZJVMFVSRTA-GOEBONIOSA-N
MW329.38 g/mol
LogP2.49
Rot. Bonds4

About 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]urea

1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]urea (PubChem CID 95141368) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]urea
PubChem CID95141368
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]urea
SMILESCc1cc(C)c(CNC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)c(=O)[nH]1
InChIInChI=1S/C18H20FN3O2/c1-10-6-11(2)21-17(23)15(10)9-20-18(24)22-16-8-14(16)12-4-3-5-13(19)7-12/h3-7,14,16H,8-9H2,1-2H3,(H,21,23)(H2,20,22,24)/t14-,16+/m0/s1
InChIKeyZVUBZJVMFVSRTA-GOEBONIOSA-N
XLogP2.49
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]urea with MolForge

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Related Compounds

N-(2-ethylphenyl)-2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]acetamide
CID 60595720
2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 60595910
1-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-3-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]urea
CID 97320658
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]urea
CID 95976630
(2R)-2-amino-N-[2-(3-fluorophenyl)cyclopropyl]propanamide
CID 119305805
1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 129380118
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylacetamide
CID 71901607
2-(2,6-dichlorophenyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 17405202
3-[[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]carbamoyl-methylamino]propanoic acid
CID 122012276
cis-(1R,2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethoxycyclopropane-1-carboxamide
CID 95976051
(2R,3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenyloxane-3-carboxamide
CID 97067524
[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]carbamic acid
CID 71014411

Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]urea?
The IUPAC name of 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]urea (CID 95141368) is 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]urea.
What is the SMILES notation for 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]urea?
The canonical SMILES for 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]urea is Cc1cc(C)c(CNC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)c(=O)[nH]1.
What is the InChIKey of 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]urea?
The InChIKey is ZVUBZJVMFVSRTA-GOEBONIOSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-10-6-11(2)21-17(23)15(10)9-20-18(24)22-16-8-14(16)12-4-3-5-13(19)7-12/h3-7,14,16H,8-9H2,1-2H3,(H,21,23)(H2,20,22,24)/t14-,16+/m0/s1.
What are the key properties of 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]urea?
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]urea has a molecular weight of 329.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]urea is sourced from PubChem (CID 95141368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).