methyl 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylate

C15H24N4O2 — CID 79309782

IUPACmethyl 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylate
SMILESCCN1CCCC1CN(C)c1nccc(C(=O)OC)c1N
InChIInChI=1S/C15H24N4O2/c1-4-19-9-5-6-11(19)10-18(2)14-13(16)12(7-8-17-14)15(20)21-3/h7-8,11H,4-6,9-10,16H2,1-3H3
InChIKeyLYWDRLQKIMFBBG-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.37
Rot. Bonds5

About methyl 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylate

methyl 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylate (PubChem CID 79309782) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylate
PubChem CID79309782
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Namemethyl 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylate
SMILESCCN1CCCC1CN(C)c1nccc(C(=O)OC)c1N
InChIInChI=1S/C15H24N4O2/c1-4-19-9-5-6-11(19)10-18(2)14-13(16)12(7-8-17-14)15(20)21-3/h7-8,11H,4-6,9-10,16H2,1-3H3
InChIKeyLYWDRLQKIMFBBG-UHFFFAOYSA-N
XLogP1.37
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid
CID 79312721
4-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105390101
methyl 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylate
CID 81062020
[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol
CID 79318503
2-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]benzoic acid
CID 104500754
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carbothioamide
CID 79318536
3-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N-methylbenzamide
CID 82992382
4-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 79311218
6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine
CID 80651922
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid
CID 113377335
1-[5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]furan-2-yl]ethanone
CID 104651800
methyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate
CID 79386110

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylate (CID 79309782) is methyl 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylate is CCN1CCCC1CN(C)c1nccc(C(=O)OC)c1N.
What is the InChIKey of methyl 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylate?
The InChIKey is LYWDRLQKIMFBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-19-9-5-6-11(19)10-18(2)14-13(16)12(7-8-17-14)15(20)21-3/h7-8,11H,4-6,9-10,16H2,1-3H3.
What are the key properties of methyl 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylate?
methyl 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylate is sourced from PubChem (CID 79309782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).