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

C15H23N3O2 — CID 62000295

IUPACmethyl 2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NCC1CCN(C(C)C)C1
InChIInChI=1S/C15H23N3O2/c1-11(2)18-8-6-12(10-18)9-17-14-13(15(19)20-3)5-4-7-16-14/h4-5,7,11-12H,6,8-10H2,1-3H3,(H,16,17)
InChIKeyVEKWFRQQVBTYFJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.01
Rot. Bonds5

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

methyl 2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate (PubChem CID 62000295) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is methyl 2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate
PubChem CID62000295
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namemethyl 2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NCC1CCN(C(C)C)C1
InChIInChI=1S/C15H23N3O2/c1-11(2)18-8-6-12(10-18)9-17-14-13(15(19)20-3)5-4-7-16-14/h4-5,7,11-12H,6,8-10H2,1-3H3,(H,16,17)
InChIKeyVEKWFRQQVBTYFJ-UHFFFAOYSA-N
XLogP2.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate
CID 62000868
methyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63243766
methyl 2-[(3-hydroxycyclopentyl)methylamino]pyridine-3-carboxylate
CID 103269706
2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63616085
methyl 2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1,3-thiazole-5-carboxylate
CID 80571216
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 61209300
methyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 65034793
ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate
CID 43298774
methyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate
CID 60722799
2-ethoxy-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide
CID 94799467
2-hydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51094816
methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate
CID 107389941

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate (CID 62000295) is methyl 2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate is COC(=O)c1cccnc1NCC1CCN(C(C)C)C1.
What is the InChIKey of methyl 2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate?
The InChIKey is VEKWFRQQVBTYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)18-8-6-12(10-18)9-17-14-13(15(19)20-3)5-4-7-16-14/h4-5,7,11-12H,6,8-10H2,1-3H3,(H,16,17).
What are the key properties of methyl 2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate?
methyl 2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 62000295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).