trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxamide

C18H19FN2O3 — CID 166292716

IUPACtrans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1cc([C@@H]2C[C@H]2C(=O)Nc2c(C)ccn(C)c2=O)ccc1F
InChIInChI=1S/C18H19FN2O3/c1-10-6-7-21(2)18(23)16(10)20-17(22)13-9-12(13)11-4-5-14(19)15(8-11)24-3/h4-8,12-13H,9H2,1-3H3,(H,20,22)/t12-,13+/m0/s1
InChIKeyLAORUGQZQQURGU-QWHCGFSZSA-N
MW330.36 g/mol
LogP2.58
Rot. Bonds4

About trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 166292716) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID166292716
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Nametrans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1cc([C@@H]2C[C@H]2C(=O)Nc2c(C)ccn(C)c2=O)ccc1F
InChIInChI=1S/C18H19FN2O3/c1-10-6-7-21(2)18(23)16(10)20-17(22)13-9-12(13)11-4-5-14(19)15(8-11)24-3/h4-8,12-13H,9H2,1-3H3,(H,20,22)/t12-,13+/m0/s1
InChIKeyLAORUGQZQQURGU-QWHCGFSZSA-N
XLogP2.58
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxamide (CID 166292716) is trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxamide is COc1cc([C@@H]2C[C@H]2C(=O)Nc2c(C)ccn(C)c2=O)ccc1F.
What is the InChIKey of trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is LAORUGQZQQURGU-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-10-6-7-21(2)18(23)16(10)20-17(22)13-9-12(13)11-4-5-14(19)15(8-11)24-3/h4-8,12-13H,9H2,1-3H3,(H,20,22)/t12-,13+/m0/s1.
What are the key properties of trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 166292716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).