1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-one

C17H20N2O — CID 115938975

IUPAC1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(N(C)c2ccc(CC)cc2)cn1
InChIInChI=1S/C17H20N2O/c1-4-13-6-8-14(9-7-13)19(3)15-10-11-16(18-12-15)17(20)5-2/h6-12H,4-5H2,1-3H3
InChIKeyHYPRWKRBQFNGFG-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.00
Rot. Bonds5

About 1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-one

1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-one (PubChem CID 115938975) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-one
PubChem CID115938975
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(N(C)c2ccc(CC)cc2)cn1
InChIInChI=1S/C17H20N2O/c1-4-13-6-8-14(9-7-13)19(3)15-10-11-16(18-12-15)17(20)5-2/h6-12H,4-5H2,1-3H3
InChIKeyHYPRWKRBQFNGFG-UHFFFAOYSA-N
XLogP4.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid
CID 113321588
1-[5-(3-methoxy-N-methylanilino)-2-pyridinyl]propan-1-one
CID 115938973
1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-ol
CID 115940436
1-[5-(dipropylamino)-2-pyridinyl]propan-1-one
CID 112583475
1-[5-[ethyl(propyl)amino]-2-pyridinyl]propan-1-one
CID 112583508
5-(4-ethyl-N-methylanilino)pyridine-2-carbonitrile
CID 115487644
6-[(4-ethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 62004228
1-[5-[cyclopropyl(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-one
CID 112583682
CID 89241370
CID 89241370
1-[5-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-pyridinyl]propan-1-one
CID 112583562
1-[5-(N-butylanilino)-2-pyridinyl]propan-1-one
CID 115939016
1-[5-[cyclopropylmethyl(propan-2-yl)amino]-2-pyridinyl]propan-1-one
CID 112583609

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-one?
The IUPAC name of 1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-one (CID 115938975) is 1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-one?
The canonical SMILES for 1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-one is CCC(=O)c1ccc(N(C)c2ccc(CC)cc2)cn1.
What is the InChIKey of 1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-one?
The InChIKey is HYPRWKRBQFNGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-4-13-6-8-14(9-7-13)19(3)15-10-11-16(18-12-15)17(20)5-2/h6-12H,4-5H2,1-3H3.
What are the key properties of 1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-one?
1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-one has a molecular weight of 268.36 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-one is sourced from PubChem (CID 115938975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).