methyl 4-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-2-carboxylate

C13H18N2O4 — CID 66285535

IUPACmethyl 4-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-2-carboxylate
SMILESCCN(CCC(=O)OC)c1ccnc(C(=O)OC)c1
InChIInChI=1S/C13H18N2O4/c1-4-15(8-6-12(16)18-2)10-5-7-14-11(9-10)13(17)19-3/h5,7,9H,4,6,8H2,1-3H3
InChIKeyZNVAKDYKVHPCDW-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.26
Rot. Bonds6

About methyl 4-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-2-carboxylate

methyl 4-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-2-carboxylate (PubChem CID 66285535) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 4-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-2-carboxylate
PubChem CID66285535
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 4-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-2-carboxylate
SMILESCCN(CCC(=O)OC)c1ccnc(C(=O)OC)c1
InChIInChI=1S/C13H18N2O4/c1-4-15(8-6-12(16)18-2)10-5-7-14-11(9-10)13(17)19-3/h5,7,9H,4,6,8H2,1-3H3
InChIKeyZNVAKDYKVHPCDW-UHFFFAOYSA-N
XLogP1.26
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboxylate
CID 79390088
methyl 3-[[2-(diethylcarbamoyl)-4-pyridinyl]-methylamino]propanoate
CID 62005961
methyl 2-[(2-carbamothioyl-4-pyridinyl)-ethylamino]acetate
CID 62925404
2-[ethyl-(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylpropanoic acid
CID 66287585
methyl 4-(3-methoxy-3-oxopropyl)pyridine-2-carboxylate
CID 170989297
methyl 2-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-3-carboxylate
CID 62005155
methyl 4-[ethyl(piperidin-3-ylmethyl)amino]pyridine-2-carboxylate
CID 106643376
2-[(2-methoxycarbonyl-4-pyridinyl)-methylamino]acetic acid
CID 66290685
4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide
CID 63765132
methyl 2-[[4-(diethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109216568
methyl 3-[4-[bis(3-methoxy-3-oxopropyl)amino]-N-(3-methoxy-3-oxopropyl)anilino]propanoate
CID 101485319
4-[(3-amino-3-iminopropyl)-ethylamino]-N-ethylpyridine-2-carboxamide
CID 54993134

Frequently Asked Questions

What is the IUPAC name of methyl 4-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-2-carboxylate (CID 66285535) is methyl 4-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-2-carboxylate is CCN(CCC(=O)OC)c1ccnc(C(=O)OC)c1.
What is the InChIKey of methyl 4-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-2-carboxylate?
The InChIKey is ZNVAKDYKVHPCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-4-15(8-6-12(16)18-2)10-5-7-14-11(9-10)13(17)19-3/h5,7,9H,4,6,8H2,1-3H3.
What are the key properties of methyl 4-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-2-carboxylate?
methyl 4-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-2-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 1.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 66285535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).