methyl 6-chloro-4-[[(1S,2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyridine-3-carboxylate

C17H14Cl2N2O3 — CID 165134483

IUPACmethyl 6-chloro-4-[[(1S,2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Cl)cc1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C17H14Cl2N2O3/c1-24-17(23)13-8-20-15(19)7-14(13)21-16(22)12-6-11(12)9-3-2-4-10(18)5-9/h2-5,7-8,11-12H,6H2,1H3,(H,20,21,22)/t11-,12+/m1/s1
InChIKeyIMXXQAQOOQTSSN-NEPJUHHUSA-N
MW365.22 g/mol
LogP3.92
Rot. Bonds4

About methyl 6-chloro-4-[[(1S,2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyridine-3-carboxylate

methyl 6-chloro-4-[[(1S,2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyridine-3-carboxylate (PubChem CID 165134483) has the molecular formula C17H14Cl2N2O3 and a molecular weight of 365.22 g/mol. Its IUPAC name is methyl 6-chloro-4-[[(1S,2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-4-[[(1S,2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyridine-3-carboxylate
PubChem CID165134483
Molecular FormulaC17H14Cl2N2O3
Molecular Weight365.22 g/mol
Exact Mass364.04
IUPAC Namemethyl 6-chloro-4-[[(1S,2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Cl)cc1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C17H14Cl2N2O3/c1-24-17(23)13-8-20-15(19)7-14(13)21-16(22)12-6-11(12)9-3-2-4-10(18)5-9/h2-5,7-8,11-12H,6H2,1H3,(H,20,21,22)/t11-,12+/m1/s1
InChIKeyIMXXQAQOOQTSSN-NEPJUHHUSA-N
XLogP3.92
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2R)-2-(3-chlorophenyl)-N-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 124885257
(1S)-2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 175979811
dimethyl 2-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzene-1,4-dicarboxylate
CID 1010270
N-(3-acetamido-4-methoxyphenyl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 49159062
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone
CID 39239299
methyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 71512051
trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide
CID 96564578
methyl 2-[[2-[(3-chlorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142893
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
N-(1H-benzimidazol-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 90336073
methyl 3-[[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]naphthalene-2-carboxylate
CID 95047778
trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 792382

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-4-[[(1S,2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-chloro-4-[[(1S,2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyridine-3-carboxylate (CID 165134483) is methyl 6-chloro-4-[[(1S,2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-4-[[(1S,2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-chloro-4-[[(1S,2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyridine-3-carboxylate is COC(=O)c1cnc(Cl)cc1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of methyl 6-chloro-4-[[(1S,2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyridine-3-carboxylate?
The InChIKey is IMXXQAQOOQTSSN-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3/c1-24-17(23)13-8-20-15(19)7-14(13)21-16(22)12-6-11(12)9-3-2-4-10(18)5-9/h2-5,7-8,11-12H,6H2,1H3,(H,20,21,22)/t11-,12+/m1/s1.
What are the key properties of methyl 6-chloro-4-[[(1S,2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyridine-3-carboxylate?
methyl 6-chloro-4-[[(1S,2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyridine-3-carboxylate has a molecular weight of 365.22 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-4-[[(1S,2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 165134483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).