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

C14H21N3O2 — CID 62000868

IUPACmethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate
SMILESCCN1CCC(CNc2ncccc2C(=O)OC)C1
InChIInChI=1S/C14H21N3O2/c1-3-17-8-6-11(10-17)9-16-13-12(14(18)19-2)5-4-7-15-13/h4-5,7,11H,3,6,8-10H2,1-2H3,(H,15,16)
InChIKeyFTDBAIUKZNCXJV-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.62
Rot. Bonds5

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

methyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate (PubChem CID 62000868) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate
PubChem CID62000868
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate
SMILESCCN1CCC(CNc2ncccc2C(=O)OC)C1
InChIInChI=1S/C14H21N3O2/c1-3-17-8-6-11(10-17)9-16-13-12(14(18)19-2)5-4-7-15-13/h4-5,7,11H,3,6,8-10H2,1-2H3,(H,15,16)
InChIKeyFTDBAIUKZNCXJV-UHFFFAOYSA-N
XLogP1.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate
CID 62000295
methyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63243766
methyl 2-[(1-ethylpiperidin-3-yl)amino]pyridine-3-carboxylate
CID 62000109
methyl 2-[(3-hydroxycyclopentyl)methylamino]pyridine-3-carboxylate
CID 103269706
ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate
CID 43298774
methyl 4-[(1-ethylpyrrolidin-3-yl)methylamino]-2,3-difluorobenzoate
CID 79834487
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-nitropyridin-3-amine
CID 113224848
ethyl 2-(thian-4-ylmethylamino)pyridine-3-carboxylate
CID 104695484
2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxamide
CID 115619041
2-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 51099499
1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrazin-2-one
CID 62938803
3-[(1-ethylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile
CID 80510426

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate (CID 62000868) is methyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate is CCN1CCC(CNc2ncccc2C(=O)OC)C1.
What is the InChIKey of methyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate?
The InChIKey is FTDBAIUKZNCXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-17-8-6-11(10-17)9-16-13-12(14(18)19-2)5-4-7-15-13/h4-5,7,11H,3,6,8-10H2,1-2H3,(H,15,16).
What are the key properties of methyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate?
methyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 62000868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).