ethyl 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxylate

C20H18ClN3O2 — CID 133364083

IUPACethyl 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC(c2cccc(Cl)c2)c2ccccn2)nc1
InChIInChI=1S/C20H18ClN3O2/c1-2-26-20(25)15-9-10-18(23-13-15)24-19(17-8-3-4-11-22-17)14-6-5-7-16(21)12-14/h3-13,19H,2H2,1H3,(H,23,24)
InChIKeyMVFQXVNJZLSLEV-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.51
Rot. Bonds6

About ethyl 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxylate

ethyl 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxylate (PubChem CID 133364083) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is ethyl 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxylate
PubChem CID133364083
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Nameethyl 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC(c2cccc(Cl)c2)c2ccccn2)nc1
InChIInChI=1S/C20H18ClN3O2/c1-2-26-20(25)15-9-10-18(23-13-15)24-19(17-8-3-4-11-22-17)14-6-5-7-16(21)12-14/h3-13,19H,2H2,1H3,(H,23,24)
InChIKeyMVFQXVNJZLSLEV-UHFFFAOYSA-N
XLogP4.51
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-propylpyridine-3-carboxamide
CID 133364093
N-ethyl-6-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxamide
CID 133414835
6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridazine-3-carboxamide
CID 133364201
ethyl 6-[(4-hydroxy-1-phenylbutyl)amino]pyridine-3-carboxylate
CID 111448145
N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-4-methyl-5-nitropyridin-2-amine
CID 133364013
4-amino-N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-methoxybutanamide
CID 120597413
N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97066368
N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133364190
ethyl 6-(2-phenylpropylamino)pyridine-3-carboxylate
CID 115578365
ethyl 4-[3-(dimethylamino)-1-pyridin-2-ylpropyl]benzoate
CID 10222746
4-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-2-methylpyridazin-3-one
CID 133364168
ethyl 4-[(5-chloro-8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoate
CID 174319482

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxylate (CID 133364083) is ethyl 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NC(c2cccc(Cl)c2)c2ccccn2)nc1.
What is the InChIKey of ethyl 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxylate?
The InChIKey is MVFQXVNJZLSLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-2-26-20(25)15-9-10-18(23-13-15)24-19(17-8-3-4-11-22-17)14-6-5-7-16(21)12-14/h3-13,19H,2H2,1H3,(H,23,24).
What are the key properties of ethyl 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxylate?
ethyl 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxylate has a molecular weight of 367.84 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 133364083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).