methyl 2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]pyridine-4-carboxylate

C17H15FN2O3 — CID 96547768

IUPACmethyl 2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2F)c1
InChIInChI=1S/C17H15FN2O3/c1-23-17(22)10-6-7-19-15(8-10)20-16(21)13-9-12(13)11-4-2-3-5-14(11)18/h2-8,12-13H,9H2,1H3,(H,19,20,21)/t12-,13-/m1/s1
InChIKeyBVDVPYBKHSIGJC-CHWSQXEVSA-N
MW314.32 g/mol
LogP2.75
Rot. Bonds4

About methyl 2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]pyridine-4-carboxylate

methyl 2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]pyridine-4-carboxylate (PubChem CID 96547768) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is methyl 2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]pyridine-4-carboxylate
PubChem CID96547768
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Namemethyl 2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2F)c1
InChIInChI=1S/C17H15FN2O3/c1-23-17(22)10-6-7-19-15(8-10)20-16(21)13-9-12(13)11-4-2-3-5-14(11)18/h2-8,12-13H,9H2,1H3,(H,19,20,21)/t12-,13-/m1/s1
InChIKeyBVDVPYBKHSIGJC-CHWSQXEVSA-N
XLogP2.75
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]pyridine-4-carboxylate with MolForge

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Related Compounds

cis-(1S,2R)-2-(2-fluorophenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 51458730
methyl 2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-4,5-dimethoxybenzoate
CID 97184245
trans-(1S,2S)-2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 41036811
cis-(1S,2R)-N-ethoxy-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 52544721
N-(2-chlorophenyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134055525
methyl 2-(propanoylamino)pyridine-4-carboxylate
CID 67508364
N-(4-chloro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 115627268
2-(2-fluorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide
CID 134009901
N-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 55584408
methyl 2-(phosphanylamino)pyridine-4-carboxylate
CID 22084632
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134042792
methyl 2-(3-bromo-4-fluoroanilino)pyridine-4-carboxylate
CID 114075085

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]pyridine-4-carboxylate (CID 96547768) is methyl 2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]pyridine-4-carboxylate is COC(=O)c1ccnc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2F)c1.
What is the InChIKey of methyl 2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]pyridine-4-carboxylate?
The InChIKey is BVDVPYBKHSIGJC-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-23-17(22)10-6-7-19-15(8-10)20-16(21)13-9-12(13)11-4-2-3-5-14(11)18/h2-8,12-13H,9H2,1H3,(H,19,20,21)/t12-,13-/m1/s1.
What are the key properties of methyl 2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]pyridine-4-carboxylate?
methyl 2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]pyridine-4-carboxylate has a molecular weight of 314.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 96547768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).