methyl 1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclopropane-1-carboxylate

C15H21N3O2 — CID 86805959

IUPACmethyl 1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(NCc2ccc(N3CCCC3)nc2)CC1
InChIInChI=1S/C15H21N3O2/c1-20-14(19)15(6-7-15)17-11-12-4-5-13(16-10-12)18-8-2-3-9-18/h4-5,10,17H,2-3,6-9,11H2,1H3
InChIKeyQDMZFTPPKCWYSV-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.48
Rot. Bonds5

About methyl 1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclopropane-1-carboxylate

methyl 1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclopropane-1-carboxylate (PubChem CID 86805959) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is methyl 1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclopropane-1-carboxylate
PubChem CID86805959
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Namemethyl 1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(NCc2ccc(N3CCCC3)nc2)CC1
InChIInChI=1S/C15H21N3O2/c1-20-14(19)15(6-7-15)17-11-12-4-5-13(16-10-12)18-8-2-3-9-18/h4-5,10,17H,2-3,6-9,11H2,1H3
InChIKeyQDMZFTPPKCWYSV-UHFFFAOYSA-N
XLogP1.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclopropane-1-carboxylate with MolForge

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Related Compounds

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546
1-hydroxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 110907185
1-[(3-methoxyphenyl)methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 36505121
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 80628704
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624
1-prop-2-enyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 36507156
2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide
CID 71842567
1-(6-piperidin-1-yl-3-pyridinyl)propan-2-one
CID 83888260
2-methyl-3-(methylamino)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119399590

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclopropane-1-carboxylate (CID 86805959) is methyl 1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclopropane-1-carboxylate is COC(=O)C1(NCc2ccc(N3CCCC3)nc2)CC1.
What is the InChIKey of methyl 1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclopropane-1-carboxylate?
The InChIKey is QDMZFTPPKCWYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-20-14(19)15(6-7-15)17-11-12-4-5-13(16-10-12)18-8-2-3-9-18/h4-5,10,17H,2-3,6-9,11H2,1H3.
What are the key properties of methyl 1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclopropane-1-carboxylate?
methyl 1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclopropane-1-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclopropane-1-carboxylate is sourced from PubChem (CID 86805959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).