N-[4-[[6-(3-methoxyphenoxy)-3-pyridinyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide

C21H25N3O4 — CID 55857997

IUPACN-[4-[[6-(3-methoxyphenoxy)-3-pyridinyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)CCCNC(=O)C3CC3)cn2)c1
InChIInChI=1S/C21H25N3O4/c1-27-17-4-2-5-18(12-17)28-20-10-7-15(14-24-20)13-23-19(25)6-3-11-22-21(26)16-8-9-16/h2,4-5,7,10,12,14,16H,3,6,8-9,11,13H2,1H3,(H,22,26)(H,23,25)
InChIKeyVRBVMZSBOLNXNC-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.81
Rot. Bonds10

About N-[4-[[6-(3-methoxyphenoxy)-3-pyridinyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide

N-[4-[[6-(3-methoxyphenoxy)-3-pyridinyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide (PubChem CID 55857997) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[4-[[6-(3-methoxyphenoxy)-3-pyridinyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[6-(3-methoxyphenoxy)-3-pyridinyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide
PubChem CID55857997
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[4-[[6-(3-methoxyphenoxy)-3-pyridinyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)CCCNC(=O)C3CC3)cn2)c1
InChIInChI=1S/C21H25N3O4/c1-27-17-4-2-5-18(12-17)28-20-10-7-15(14-24-20)13-23-19(25)6-3-11-22-21(26)16-8-9-16/h2,4-5,7,10,12,14,16H,3,6,8-9,11,13H2,1H3,(H,22,26)(H,23,25)
InChIKeyVRBVMZSBOLNXNC-UHFFFAOYSA-N
XLogP2.81
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55800630
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119847592
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55800985
4-(2,5-dimethylthiophen-3-yl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide
CID 55858632
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55800538
1-(2-ethylphenyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55800666
(2S,5R)-5-(aminomethyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]oxolane-2-carboxamide
CID 120797994
1-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119847608
2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119847596
2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide
CID 120797996
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(5-phenylfuran-2-yl)propanamide
CID 55800755
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide
CID 119847615

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(3-methoxyphenoxy)-3-pyridinyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[6-(3-methoxyphenoxy)-3-pyridinyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide (CID 55857997) is N-[4-[[6-(3-methoxyphenoxy)-3-pyridinyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[6-(3-methoxyphenoxy)-3-pyridinyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[6-(3-methoxyphenoxy)-3-pyridinyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide is COc1cccc(Oc2ccc(CNC(=O)CCCNC(=O)C3CC3)cn2)c1.
What is the InChIKey of N-[4-[[6-(3-methoxyphenoxy)-3-pyridinyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide?
The InChIKey is VRBVMZSBOLNXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-27-17-4-2-5-18(12-17)28-20-10-7-15(14-24-20)13-23-19(25)6-3-11-22-21(26)16-8-9-16/h2,4-5,7,10,12,14,16H,3,6,8-9,11,13H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-[4-[[6-(3-methoxyphenoxy)-3-pyridinyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide?
N-[4-[[6-(3-methoxyphenoxy)-3-pyridinyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.81, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(3-methoxyphenoxy)-3-pyridinyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 55857997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).