methyl 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]pyridine-3-carboxylate

C15H22N2O2 — CID 114198493

IUPACmethyl 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1CN(CC1CC1)C(C)C
InChIInChI=1S/C15H22N2O2/c1-11(2)17(9-12-6-7-12)10-14-13(15(18)19-3)5-4-8-16-14/h4-5,8,11-12H,6-7,9-10H2,1-3H3
InChIKeyGWRVHQPADSNOPY-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.49
Rot. Bonds6

About methyl 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]pyridine-3-carboxylate

methyl 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]pyridine-3-carboxylate (PubChem CID 114198493) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]pyridine-3-carboxylate
PubChem CID114198493
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namemethyl 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1CN(CC1CC1)C(C)C
InChIInChI=1S/C15H22N2O2/c1-11(2)17(9-12-6-7-12)10-14-13(15(18)19-3)5-4-8-16-14/h4-5,8,11-12H,6-7,9-10H2,1-3H3
InChIKeyGWRVHQPADSNOPY-UHFFFAOYSA-N
XLogP2.49
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate
CID 175725105
methyl 2-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxylate
CID 114198428
methyl 3-amino-2-[cyclopropylmethyl(propan-2-yl)amino]benzoate
CID 112578588
1-[2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]phenyl]ethanone
CID 60966894
methyl 2-[[cyclopropylmethyl(methyl)amino]methyl]benzoate
CID 82969568
methyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63243766
methyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate
CID 60722799
methyl 2-[(2,3-dimethylthiomorpholin-4-yl)methyl]pyridine-3-carboxylate
CID 114198562
methyl 2-[(2,3,3-trimethylbutylamino)methyl]pyridine-3-carboxylate
CID 114198781
methyl 2-(2-cyanoethyl)pyridine-3-carboxylate
CID 146567740
methyl 2-[(4-methylazepan-1-yl)methyl]pyridine-3-carboxylate
CID 114198518
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]pyridine-3-carboxylate (CID 114198493) is methyl 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]pyridine-3-carboxylate is COC(=O)c1cccnc1CN(CC1CC1)C(C)C.
What is the InChIKey of methyl 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]pyridine-3-carboxylate?
The InChIKey is GWRVHQPADSNOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(2)17(9-12-6-7-12)10-14-13(15(18)19-3)5-4-8-16-14/h4-5,8,11-12H,6-7,9-10H2,1-3H3.
What are the key properties of methyl 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]pyridine-3-carboxylate?
methyl 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]pyridine-3-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 114198493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).