1-(methylamino)-N-[6-(4-methylphenoxy)-3-pyridinyl]cyclobutane-1-carboxamide

C18H21N3O2 — CID 154845228

IUPAC1-(methylamino)-N-[6-(4-methylphenoxy)-3-pyridinyl]cyclobutane-1-carboxamide
SMILESCNC1(C(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)CCC1
InChIInChI=1S/C18H21N3O2/c1-13-4-7-15(8-5-13)23-16-9-6-14(12-20-16)21-17(22)18(19-2)10-3-11-18/h4-9,12,19H,3,10-11H2,1-2H3,(H,21,22)
InChIKeyUSVKGLHGMLBFDU-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.26
Rot. Bonds5

About 1-(methylamino)-N-[6-(4-methylphenoxy)-3-pyridinyl]cyclobutane-1-carboxamide

1-(methylamino)-N-[6-(4-methylphenoxy)-3-pyridinyl]cyclobutane-1-carboxamide (PubChem CID 154845228) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-(methylamino)-N-[6-(4-methylphenoxy)-3-pyridinyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-N-[6-(4-methylphenoxy)-3-pyridinyl]cyclobutane-1-carboxamide
PubChem CID154845228
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name1-(methylamino)-N-[6-(4-methylphenoxy)-3-pyridinyl]cyclobutane-1-carboxamide
SMILESCNC1(C(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)CCC1
InChIInChI=1S/C18H21N3O2/c1-13-4-7-15(8-5-13)23-16-9-6-14(12-20-16)21-17(22)18(19-2)10-3-11-18/h4-9,12,19H,3,10-11H2,1-2H3,(H,21,22)
InChIKeyUSVKGLHGMLBFDU-UHFFFAOYSA-N
XLogP3.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-methylphenoxy)-3-pyridinyl]-4-phenyloxane-4-carboxamide
CID 55787731
1-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 119893826
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-hydroxycyclopropane-1-carboxamide
CID 154846570
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
1-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 119849090
1-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119849089
3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide
CID 119852373
4-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]piperazine-1-carboxamide
CID 127348584
2-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide
CID 120798308
2-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 86891552
4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119852380
1-[(2S)-1-hydroxypropan-2-yl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 94734823

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-N-[6-(4-methylphenoxy)-3-pyridinyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(methylamino)-N-[6-(4-methylphenoxy)-3-pyridinyl]cyclobutane-1-carboxamide (CID 154845228) is 1-(methylamino)-N-[6-(4-methylphenoxy)-3-pyridinyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(methylamino)-N-[6-(4-methylphenoxy)-3-pyridinyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(methylamino)-N-[6-(4-methylphenoxy)-3-pyridinyl]cyclobutane-1-carboxamide is CNC1(C(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)CCC1.
What is the InChIKey of 1-(methylamino)-N-[6-(4-methylphenoxy)-3-pyridinyl]cyclobutane-1-carboxamide?
The InChIKey is USVKGLHGMLBFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-4-7-15(8-5-13)23-16-9-6-14(12-20-16)21-17(22)18(19-2)10-3-11-18/h4-9,12,19H,3,10-11H2,1-2H3,(H,21,22).
What are the key properties of 1-(methylamino)-N-[6-(4-methylphenoxy)-3-pyridinyl]cyclobutane-1-carboxamide?
1-(methylamino)-N-[6-(4-methylphenoxy)-3-pyridinyl]cyclobutane-1-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-N-[6-(4-methylphenoxy)-3-pyridinyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 154845228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).