ethyl 6-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-3-carboxylate

C15H22N2O3 — CID 103748767

IUPACethyl 6-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N(C)CCOCC2CC2)nc1
InChIInChI=1S/C15H22N2O3/c1-3-20-15(18)13-6-7-14(16-10-13)17(2)8-9-19-11-12-4-5-12/h6-7,10,12H,3-5,8-9,11H2,1-2H3
InChIKeyWTRZGQNMUMEORR-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.12
Rot. Bonds8

About ethyl 6-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-3-carboxylate

ethyl 6-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-3-carboxylate (PubChem CID 103748767) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 6-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-3-carboxylate
PubChem CID103748767
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 6-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N(C)CCOCC2CC2)nc1
InChIInChI=1S/C15H22N2O3/c1-3-20-15(18)13-6-7-14(16-10-13)17(2)8-9-19-11-12-4-5-12/h6-7,10,12H,3-5,8-9,11H2,1-2H3
InChIKeyWTRZGQNMUMEORR-UHFFFAOYSA-N
XLogP2.12
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-aminopropyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyridin-2-amine
CID 80634547
ethyl 6-(piperidin-4-ylmethoxy)pyridine-3-carboxylate
CID 62348809
ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxylate
CID 61145395
ethyl 6-[2-hydroxyethyl(propyl)amino]pyridine-3-carboxylate
CID 61425576
ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63541483
[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 28956848
ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride
CID 57360953
2-[(5-ethoxycarbonyl-2-pyridinyl)-propylamino]acetic acid
CID 54898866
ethyl 6-[chloro-[(2S)-2-hydroxypropyl]amino]pyridine-3-carboxylate
CID 145219375
ethyl 6-[(2-ethoxy-2-oxoethyl)-ethylamino]pyridine-3-carboxylate
CID 62007392
6-[2-(cyclopropylmethoxy)ethyl-methylamino]-5-nitropyridine-3-carboxylic acid
CID 81448116
ethyl 4-amino-3-[cyclopropylmethyl(methyl)amino]benzoate
CID 82785823

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-3-carboxylate (CID 103748767) is ethyl 6-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-3-carboxylate is CCOC(=O)c1ccc(N(C)CCOCC2CC2)nc1.
What is the InChIKey of ethyl 6-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-3-carboxylate?
The InChIKey is WTRZGQNMUMEORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-20-15(18)13-6-7-14(16-10-13)17(2)8-9-19-11-12-4-5-12/h6-7,10,12H,3-5,8-9,11H2,1-2H3.
What are the key properties of ethyl 6-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-3-carboxylate?
ethyl 6-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-3-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 103748767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).