N-[5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide

C20H25N3O3 — CID 113028985

IUPACN-[5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide
SMILESCOc1ccc(CCNc2ccc(NC(=O)C3CCC3)nc2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-25-17-8-6-14(12-18(17)26-2)10-11-21-16-7-9-19(22-13-16)23-20(24)15-4-3-5-15/h6-9,12-13,15,21H,3-5,10-11H2,1-2H3,(H,22,23,24)
InChIKeyBANOYAVXVCAWDV-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.49
Rot. Bonds8

About N-[5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide

N-[5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide (PubChem CID 113028985) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide
PubChem CID113028985
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide
SMILESCOc1ccc(CCNc2ccc(NC(=O)C3CCC3)nc2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-25-17-8-6-14(12-18(17)26-2)10-11-21-16-7-9-19(22-13-16)23-20(24)15-4-3-5-15/h6-9,12-13,15,21H,3-5,10-11H2,1-2H3,(H,22,23,24)
InChIKeyBANOYAVXVCAWDV-UHFFFAOYSA-N
XLogP3.49
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113028301
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113028392
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113027369
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydrazinylpyridin-3-amine
CID 82055014
N-cyclohexyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109182948
ethyl N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]carbamate
CID 113013912
N-[5-(butylamino)-2-pyridinyl]cyclobutanecarboxamide
CID 113024024
N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113036526
N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]-4-methylbenzamide
CID 113013902
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydrazinylpyridin-2-amine
CID 82055041
N-[5-(butylamino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113024001
N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide
CID 112984068

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide (CID 113028985) is N-[5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide is COc1ccc(CCNc2ccc(NC(=O)C3CCC3)nc2)cc1OC.
What is the InChIKey of N-[5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide?
The InChIKey is BANOYAVXVCAWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-17-8-6-14(12-18(17)26-2)10-11-21-16-7-9-19(22-13-16)23-20(24)15-4-3-5-15/h6-9,12-13,15,21H,3-5,10-11H2,1-2H3,(H,22,23,24).
What are the key properties of N-[5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide?
N-[5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 113028985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).