N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine

C16H25N3O — CID 82893783

IUPACN-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
SMILESCOc1cc(C)nc(CN2CCCC2CNC2CC2)c1
InChIInChI=1S/C16H25N3O/c1-12-8-16(20-2)9-14(18-12)11-19-7-3-4-15(19)10-17-13-5-6-13/h8-9,13,15,17H,3-7,10-11H2,1-2H3
InChIKeyDFVBUNNTMLXWRG-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.12
Rot. Bonds6

About N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine

N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine (PubChem CID 82893783) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
PubChem CID82893783
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
SMILESCOc1cc(C)nc(CN2CCCC2CNC2CC2)c1
InChIInChI=1S/C16H25N3O/c1-12-8-16(20-2)9-14(18-12)11-19-7-3-4-15(19)10-17-13-5-6-13/h8-9,13,15,17H,3-7,10-11H2,1-2H3
InChIKeyDFVBUNNTMLXWRG-UHFFFAOYSA-N
XLogP2.12
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 82893710
1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 115771061
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbaldehyde
CID 82896519
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbonitrile
CID 82892857
N'-hydroxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide
CID 82893848
[4-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 115963754
N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 82888686
N-[[1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62580190
N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine
CID 62580232
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62581996
4-methoxy-2-methyl-6-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine
CID 82886408
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methylcyclopentan-1-amine
CID 114545775

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine (CID 82893783) is N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine is COc1cc(C)nc(CN2CCCC2CNC2CC2)c1.
What is the InChIKey of N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine?
The InChIKey is DFVBUNNTMLXWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-8-16(20-2)9-14(18-12)11-19-7-3-4-15(19)10-17-13-5-6-13/h8-9,13,15,17H,3-7,10-11H2,1-2H3.
What are the key properties of N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine?
N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine has a molecular weight of 275.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82893783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).