N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine

C16H21N3O2 — CID 103173679

IUPACN-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
SMILESCOc1ccnc(Cn2cccc2CNC2CC2)c1OC
InChIInChI=1S/C16H21N3O2/c1-20-15-7-8-17-14(16(15)21-2)11-19-9-3-4-13(19)10-18-12-5-6-12/h3-4,7-9,12,18H,5-6,10-11H2,1-2H3
InChIKeyJBQLWFWHVUTMMR-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.20
Rot. Bonds7

About N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine

N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine (PubChem CID 103173679) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
PubChem CID103173679
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
SMILESCOc1ccnc(Cn2cccc2CNC2CC2)c1OC
InChIInChI=1S/C16H21N3O2/c1-20-15-7-8-17-14(16(15)21-2)11-19-9-3-4-13(19)10-18-12-5-6-12/h3-4,7-9,12,18H,5-6,10-11H2,1-2H3
InChIKeyJBQLWFWHVUTMMR-UHFFFAOYSA-N
XLogP2.20
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one
CID 103174116
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 103172520
N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66403363
N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 103173671
N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine
CID 66411275
N-[(1-ethylpyrrol-2-yl)methyl]cyclooctanamine
CID 66410893
N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402782
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroindole
CID 103174105
3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine
CID 103174085
N-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 66412458
N-[(1-ethylpyrrol-2-yl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122687
N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66401824

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine (CID 103173679) is N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine is COc1ccnc(Cn2cccc2CNC2CC2)c1OC.
What is the InChIKey of N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
The InChIKey is JBQLWFWHVUTMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-20-15-7-8-17-14(16(15)21-2)11-19-9-3-4-13(19)10-18-12-5-6-12/h3-4,7-9,12,18H,5-6,10-11H2,1-2H3.
What are the key properties of N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine has a molecular weight of 287.36 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 103173679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).