ethyl 6-amino-5-[(2-chlorophenyl)methyl]-2-methylpyridine-3-carboxylate

C16H17ClN2O2 — CID 134833239

IUPACethyl 6-amino-5-[(2-chlorophenyl)methyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccccc2Cl)c(N)nc1C
InChIInChI=1S/C16H17ClN2O2/c1-3-21-16(20)13-9-12(15(18)19-10(13)2)8-11-6-4-5-7-14(11)17/h4-7,9H,3,8H2,1-2H3,(H2,18,19)
InChIKeyCVVPFDFFCPFFHP-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.39
Rot. Bonds4

About ethyl 6-amino-5-[(2-chlorophenyl)methyl]-2-methylpyridine-3-carboxylate

ethyl 6-amino-5-[(2-chlorophenyl)methyl]-2-methylpyridine-3-carboxylate (PubChem CID 134833239) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is ethyl 6-amino-5-[(2-chlorophenyl)methyl]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-5-[(2-chlorophenyl)methyl]-2-methylpyridine-3-carboxylate
PubChem CID134833239
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Nameethyl 6-amino-5-[(2-chlorophenyl)methyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccccc2Cl)c(N)nc1C
InChIInChI=1S/C16H17ClN2O2/c1-3-21-16(20)13-9-12(15(18)19-10(13)2)8-11-6-4-5-7-14(11)17/h4-7,9H,3,8H2,1-2H3,(H2,18,19)
InChIKeyCVVPFDFFCPFFHP-UHFFFAOYSA-N
XLogP3.39
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-amino-5,6,7,8-tetrahydro-3-quinolinecarboxylate
CID 3808295
Ethyl 2-aminoquinoline-3-carboxylate
CID 283477
ethyl 2-amino-7-ethyl-7-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate
CID 3754294
6-(4-Chlorophenyl)-2-methyl-3-pyridinecarboxylic acid methyl ester
CID 822962
Ethyl 6-(butylamino)-5-cyano-2-phenylnicotinate
CID 3393240
Ethyl 5-cyano-2-phenyl-6-(propylamino)pyridine-3-carboxylate
CID 3644194
Ethyl 6-(allylamino)-5-cyano-2-phenylnicotinate
CID 3841301
2-Amino-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid ethyl ester
CID 9549532
Dipropyl 2-(3-chlorophenyl)-4,6-diethylpyridine-3,5-dicarboxylate
CID 44413098
Benzoic acid, 3-(6-amino-3-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester
CID 45480517
Methyl 5-cyano-6-[(2,4-dichlorobenzyl)amino]-2-methylnicotinate
CID 2769101
ethyl 2-amino-4,5-bis(4-chlorophenyl)-1H-pyrrole-3-carboxylate
CID 71658480

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-5-[(2-chlorophenyl)methyl]-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-amino-5-[(2-chlorophenyl)methyl]-2-methylpyridine-3-carboxylate (CID 134833239) is ethyl 6-amino-5-[(2-chlorophenyl)methyl]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-amino-5-[(2-chlorophenyl)methyl]-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-amino-5-[(2-chlorophenyl)methyl]-2-methylpyridine-3-carboxylate is CCOC(=O)c1cc(Cc2ccccc2Cl)c(N)nc1C.
What is the InChIKey of ethyl 6-amino-5-[(2-chlorophenyl)methyl]-2-methylpyridine-3-carboxylate?
The InChIKey is CVVPFDFFCPFFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-3-21-16(20)13-9-12(15(18)19-10(13)2)8-11-6-4-5-7-14(11)17/h4-7,9H,3,8H2,1-2H3,(H2,18,19).
What are the key properties of ethyl 6-amino-5-[(2-chlorophenyl)methyl]-2-methylpyridine-3-carboxylate?
ethyl 6-amino-5-[(2-chlorophenyl)methyl]-2-methylpyridine-3-carboxylate has a molecular weight of 304.78 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-5-[(2-chlorophenyl)methyl]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 134833239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).