(2-ethylpiperidin-1-yl)-[4-(3-methoxyanilino)-2-pyridinyl]methanone

C20H25N3O2 — CID 109217972

IUPAC(2-ethylpiperidin-1-yl)-[4-(3-methoxyanilino)-2-pyridinyl]methanone
SMILESCCC1CCCCN1C(=O)c1cc(Nc2cccc(OC)c2)ccn1
InChIInChI=1S/C20H25N3O2/c1-3-17-8-4-5-12-23(17)20(24)19-14-16(10-11-21-19)22-15-7-6-9-18(13-15)25-2/h6-7,9-11,13-14,17H,3-5,8,12H2,1-2H3,(H,21,22)
InChIKeyBMQSTVLICQUCCP-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.24
Rot. Bonds5

About (2-ethylpiperidin-1-yl)-[4-(3-methoxyanilino)-2-pyridinyl]methanone

(2-ethylpiperidin-1-yl)-[4-(3-methoxyanilino)-2-pyridinyl]methanone (PubChem CID 109217972) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[4-(3-methoxyanilino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[4-(3-methoxyanilino)-2-pyridinyl]methanone
PubChem CID109217972
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(2-ethylpiperidin-1-yl)-[4-(3-methoxyanilino)-2-pyridinyl]methanone
SMILESCCC1CCCCN1C(=O)c1cc(Nc2cccc(OC)c2)ccn1
InChIInChI=1S/C20H25N3O2/c1-3-17-8-4-5-12-23(17)20(24)19-14-16(10-11-21-19)22-15-7-6-9-18(13-15)25-2/h6-7,9-11,13-14,17H,3-5,8,12H2,1-2H3,(H,21,22)
InChIKeyBMQSTVLICQUCCP-UHFFFAOYSA-N
XLogP4.24
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylpiperidin-1-yl)-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone
CID 109333881
N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090251
2-(2-ethylpiperidine-1-carbonyl)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109086886
[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109312606
[4-(3-methoxyanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208164
[4-[2-(dimethylamino)ethylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109207330
2-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109088184
N-(3-cyanophenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090269
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8554689
N-(2-ethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090246
(2-ethylpiperidin-1-yl)-[5-[2-(3-methoxyphenyl)ethylamino]pyrazin-2-yl]methanone
CID 109284789
N-(4-ethylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090223

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[4-(3-methoxyanilino)-2-pyridinyl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[4-(3-methoxyanilino)-2-pyridinyl]methanone (CID 109217972) is (2-ethylpiperidin-1-yl)-[4-(3-methoxyanilino)-2-pyridinyl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[4-(3-methoxyanilino)-2-pyridinyl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[4-(3-methoxyanilino)-2-pyridinyl]methanone is CCC1CCCCN1C(=O)c1cc(Nc2cccc(OC)c2)ccn1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[4-(3-methoxyanilino)-2-pyridinyl]methanone?
The InChIKey is BMQSTVLICQUCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-17-8-4-5-12-23(17)20(24)19-14-16(10-11-21-19)22-15-7-6-9-18(13-15)25-2/h6-7,9-11,13-14,17H,3-5,8,12H2,1-2H3,(H,21,22).
What are the key properties of (2-ethylpiperidin-1-yl)-[4-(3-methoxyanilino)-2-pyridinyl]methanone?
(2-ethylpiperidin-1-yl)-[4-(3-methoxyanilino)-2-pyridinyl]methanone has a molecular weight of 339.44 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[4-(3-methoxyanilino)-2-pyridinyl]methanone is sourced from PubChem (CID 109217972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).