methyl 5-amino-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylate

C14H21N3O2 — CID 114090571

IUPACmethyl 5-amino-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N2CCC(C(C)C)C2)ncc1N
InChIInChI=1S/C14H21N3O2/c1-9(2)10-4-5-17(8-10)13-6-11(14(18)19-3)12(15)7-16-13/h6-7,9-10H,4-5,8,15H2,1-3H3
InChIKeyZYMMDOSPOCAEKB-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.93
Rot. Bonds3

About methyl 5-amino-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylate

methyl 5-amino-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylate (PubChem CID 114090571) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 5-amino-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylate
PubChem CID114090571
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 5-amino-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N2CCC(C(C)C)C2)ncc1N
InChIInChI=1S/C14H21N3O2/c1-9(2)10-4-5-17(8-10)13-6-11(14(18)19-3)12(15)7-16-13/h6-7,9-10H,4-5,8,15H2,1-3H3
InChIKeyZYMMDOSPOCAEKB-UHFFFAOYSA-N
XLogP1.93
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)pyridine-4-carboxylate
CID 114090703
methyl 5-amino-2-(azocan-1-yl)pyridine-4-carboxylate
CID 114090049
methyl 5-amino-2-(4-methyl-3-oxopiperazin-1-yl)pyridine-4-carboxylate
CID 114090414
methyl 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103384135
methyl 2-amino-3-methyl-5-(4-propan-2-ylpiperidin-1-yl)benzoate
CID 103505146
[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine
CID 114927096
5-(3-propan-2-ylpyrrolidin-1-yl)pyrazine-2-carbothioamide
CID 113417506
1-[2-amino-4-(3-propan-2-ylpyrrolidin-1-yl)phenyl]ethanone
CID 104529165
5-chloro-2-(4-propan-2-ylazepan-1-yl)pyridine-4-carboxylic acid
CID 114919701
5-amino-2-(4-propylpiperidin-1-yl)pyridine-4-carboxamide
CID 114090312
methyl 3-amino-4-methoxy-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate
CID 103506297
4-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine
CID 170397345

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylate?
The IUPAC name of methyl 5-amino-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylate (CID 114090571) is methyl 5-amino-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylate is COC(=O)c1cc(N2CCC(C(C)C)C2)ncc1N.
What is the InChIKey of methyl 5-amino-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylate?
The InChIKey is ZYMMDOSPOCAEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(2)10-4-5-17(8-10)13-6-11(14(18)19-3)12(15)7-16-13/h6-7,9-10H,4-5,8,15H2,1-3H3.
What are the key properties of methyl 5-amino-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylate?
methyl 5-amino-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylate is sourced from PubChem (CID 114090571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).