ethyl 2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate

C14H20N2O3 — CID 3754294

IUPACethyl 2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(nc1N)CC(C)(CC)OC2
InChIInChI=1S/C14H20N2O3/c1-4-14(3)7-11-9(8-19-14)6-10(12(15)16-11)13(17)18-5-2/h6H,4-5,7-8H2,1-3H3,(H2,15,16)
InChIKeyWEWNGEFMBVMVAP-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.08
Rot. Bonds3

About ethyl 2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate

ethyl 2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate (PubChem CID 3754294) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate
PubChem CID3754294
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl 2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(nc1N)CC(C)(CC)OC2
InChIInChI=1S/C14H20N2O3/c1-4-14(3)7-11-9(8-19-14)6-10(12(15)16-11)13(17)18-5-2/h6H,4-5,7-8H2,1-3H3,(H2,15,16)
InChIKeyWEWNGEFMBVMVAP-UHFFFAOYSA-N
XLogP2.08
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-amino-5,6,7,8-tetrahydro-3-quinolinecarboxylate
CID 3808295
7,7-Dimethyl-2-thioxo-1,2,3,5,7,8-hexahydro-6-oxa-1,3,9-triaza-anthracen-4-one
CID 5410076
ethyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate
CID 46867383
Ethyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate
CID 46867384
Ethyl 2-aminoquinoline-3-carboxylate
CID 283477
Ethyl 7,7-dimethyl-2-(prop-2-enylcarbamothioylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate
CID 1893984
2-[3-(2-Methyl-allyl)-thioureido]-5,6,7,8-tetrahydro-quinoline-3-carboxylic acid ethyl ester
CID 3751938
ethyl 7-ethyl-7-methyl-2-[(phenylcarbamothioyl)amino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate
CID 3779733
Ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 4302834
Ethyl 2-[(benzylcarbamothioyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 5135847
2-Amino-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid ethyl ester
CID 9549532
2-Chloro-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid
CID 750223

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate (CID 3754294) is ethyl 2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate is CCOC(=O)c1cc2c(nc1N)CC(C)(CC)OC2.
What is the InChIKey of ethyl 2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate?
The InChIKey is WEWNGEFMBVMVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-14(3)7-11-9(8-19-14)6-10(12(15)16-11)13(17)18-5-2/h6H,4-5,7-8H2,1-3H3,(H2,15,16).
What are the key properties of ethyl 2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate?
ethyl 2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 3754294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).