[4-(N-ethyl-3-methylanilino)-2-pyridinyl]-piperidin-1-ylmethanone

C20H25N3O — CID 109204542

IUPAC[4-(N-ethyl-3-methylanilino)-2-pyridinyl]-piperidin-1-ylmethanone
SMILESCCN(c1cccc(C)c1)c1ccnc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C20H25N3O/c1-3-23(17-9-7-8-16(2)14-17)18-10-11-21-19(15-18)20(24)22-12-5-4-6-13-22/h7-11,14-15H,3-6,12-13H2,1-2H3
InChIKeyCOWPEZSRPZTQPQ-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.17
Rot. Bonds4

About [4-(N-ethyl-3-methylanilino)-2-pyridinyl]-piperidin-1-ylmethanone

[4-(N-ethyl-3-methylanilino)-2-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 109204542) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is [4-(N-ethyl-3-methylanilino)-2-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(N-ethyl-3-methylanilino)-2-pyridinyl]-piperidin-1-ylmethanone
PubChem CID109204542
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name[4-(N-ethyl-3-methylanilino)-2-pyridinyl]-piperidin-1-ylmethanone
SMILESCCN(c1cccc(C)c1)c1ccnc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C20H25N3O/c1-3-23(17-9-7-8-16(2)14-17)18-10-11-21-19(15-18)20(24)22-12-5-4-6-13-22/h7-11,14-15H,3-6,12-13H2,1-2H3
InChIKeyCOWPEZSRPZTQPQ-UHFFFAOYSA-N
XLogP4.17
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(N-ethyl-3-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208548
[4-(N-ethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208139
[4-(diethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203679
[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302364
[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299311
N-ethyl-N-(3-methylphenyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083104
N-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109209759
N-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044713
[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114792
N-(4-acetylphenyl)-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109222166
ethyl 4-[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate
CID 109123908
4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine
CID 113367563

Frequently Asked Questions

What is the IUPAC name of [4-(N-ethyl-3-methylanilino)-2-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(N-ethyl-3-methylanilino)-2-pyridinyl]-piperidin-1-ylmethanone (CID 109204542) is [4-(N-ethyl-3-methylanilino)-2-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(N-ethyl-3-methylanilino)-2-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(N-ethyl-3-methylanilino)-2-pyridinyl]-piperidin-1-ylmethanone is CCN(c1cccc(C)c1)c1ccnc(C(=O)N2CCCCC2)c1.
What is the InChIKey of [4-(N-ethyl-3-methylanilino)-2-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is COWPEZSRPZTQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-3-23(17-9-7-8-16(2)14-17)18-10-11-21-19(15-18)20(24)22-12-5-4-6-13-22/h7-11,14-15H,3-6,12-13H2,1-2H3.
What are the key properties of [4-(N-ethyl-3-methylanilino)-2-pyridinyl]-piperidin-1-ylmethanone?
[4-(N-ethyl-3-methylanilino)-2-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 323.44 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(N-ethyl-3-methylanilino)-2-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109204542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).