N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine

C17H23N3O — CID 66405969

IUPACN-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
SMILESCOc1c(C)cnc(Cn2ccc(CNC3CC3)c2)c1C
InChIInChI=1S/C17H23N3O/c1-12-8-19-16(13(2)17(12)21-3)11-20-7-6-14(10-20)9-18-15-4-5-15/h6-8,10,15,18H,4-5,9,11H2,1-3H3
InChIKeyBYUUYGGDDJAUGS-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.81
Rot. Bonds6

About N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine

N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine (PubChem CID 66405969) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
PubChem CID66405969
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
SMILESCOc1c(C)cnc(Cn2ccc(CNC3CC3)c2)c1C
InChIInChI=1S/C17H23N3O/c1-12-8-19-16(13(2)17(12)21-3)11-20-7-6-14(10-20)9-18-15-4-5-15/h6-8,10,15,18H,4-5,9,11H2,1-3H3
InChIKeyBYUUYGGDDJAUGS-UHFFFAOYSA-N
XLogP2.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66404064
N-[[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81026993
N-[[1-[(4-bromophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66406788
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79109512
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-ol
CID 62021333
N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butyl]cyclopropanamine
CID 62529169
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66404154
methyl 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetate
CID 66404148
N-[[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66405569
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine
CID 63278062
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62731017
(6S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95329007

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine (CID 66405969) is N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine is COc1c(C)cnc(Cn2ccc(CNC3CC3)c2)c1C.
What is the InChIKey of N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine?
The InChIKey is BYUUYGGDDJAUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-8-19-16(13(2)17(12)21-3)11-20-7-6-14(10-20)9-18-15-4-5-15/h6-8,10,15,18H,4-5,9,11H2,1-3H3.
What are the key properties of N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine?
N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine has a molecular weight of 285.39 g/mol, XLogP of 2.81, 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-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66405969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).