methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate

C14H13ClN2O2 — CID 146669717

IUPACmethyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C14H13ClN2O2/c1-19-14(18)11-4-7-13(17-9-11)16-8-10-2-5-12(15)6-3-10/h2-7,9H,8H2,1H3,(H,16,17)
InChIKeyFDEUIYUQILKLTN-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.13
Rot. Bonds4

About methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate

methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate (PubChem CID 146669717) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate
PubChem CID146669717
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Namemethyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C14H13ClN2O2/c1-19-14(18)11-4-7-13(17-9-11)16-8-10-2-5-12(15)6-3-10/h2-7,9H,8H2,1H3,(H,16,17)
InChIKeyFDEUIYUQILKLTN-UHFFFAOYSA-N
XLogP3.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid
CID 28740301
6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 112722784
methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate
CID 113012316
N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156954
6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109156901
6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109156907
methyl 4-[[6-[(4-methylphenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156010
6-(benzylamino)pyridine-3-carboxylic acid;methyl 6-(benzylamino)pyridine-3-carboxylate;methyl 6-fluoropyridine-3-carboxylate
CID 159277489
methyl 4-[[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112860028
6-[(4-chlorophenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156184
N-(3-chlorophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156937
6-[(3-chloro-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956139

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate (CID 146669717) is methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate is COC(=O)c1ccc(NCc2ccc(Cl)cc2)nc1.
What is the InChIKey of methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate?
The InChIKey is FDEUIYUQILKLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-19-14(18)11-4-7-13(17-9-11)16-8-10-2-5-12(15)6-3-10/h2-7,9H,8H2,1H3,(H,16,17).
What are the key properties of methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate?
methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate has a molecular weight of 276.72 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 146669717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).