(3-ethyl-4-propan-2-ylpiperazin-1-yl)-[6-(2-methylprop-2-enylamino)-3-pyridinyl]methanone

C19H30N4O — CID 45191322

IUPAC(3-ethyl-4-propan-2-ylpiperazin-1-yl)-[6-(2-methylprop-2-enylamino)-3-pyridinyl]methanone
SMILESC=C(C)CNc1ccc(C(=O)N2CCN(C(C)C)C(CC)C2)cn1
InChIInChI=1S/C19H30N4O/c1-6-17-13-22(9-10-23(17)15(4)5)19(24)16-7-8-18(21-12-16)20-11-14(2)3/h7-8,12,15,17H,2,6,9-11,13H2,1,3-5H3,(H,20,21)
InChIKeyRWYSMSSHZOURRT-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.01
Rot. Bonds6

About (3-ethyl-4-propan-2-ylpiperazin-1-yl)-[6-(2-methylprop-2-enylamino)-3-pyridinyl]methanone

(3-ethyl-4-propan-2-ylpiperazin-1-yl)-[6-(2-methylprop-2-enylamino)-3-pyridinyl]methanone (PubChem CID 45191322) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is (3-ethyl-4-propan-2-ylpiperazin-1-yl)-[6-(2-methylprop-2-enylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-ethyl-4-propan-2-ylpiperazin-1-yl)-[6-(2-methylprop-2-enylamino)-3-pyridinyl]methanone
PubChem CID45191322
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name(3-ethyl-4-propan-2-ylpiperazin-1-yl)-[6-(2-methylprop-2-enylamino)-3-pyridinyl]methanone
SMILESC=C(C)CNc1ccc(C(=O)N2CCN(C(C)C)C(CC)C2)cn1
InChIInChI=1S/C19H30N4O/c1-6-17-13-22(9-10-23(17)15(4)5)19(24)16-7-8-18(21-12-16)20-11-14(2)3/h7-8,12,15,17H,2,6,9-11,13H2,1,3-5H3,(H,20,21)
InChIKeyRWYSMSSHZOURRT-UHFFFAOYSA-N
XLogP3.01
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3-ethyl-4-propan-2-ylpiperazin-1-yl)-[6-(2-methylprop-2-enylamino)-3-pyridinyl]methanone with MolForge

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Related Compounds

[6-(benzylamino)-3-pyridinyl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 28954600
[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 29256413
(3-ethyl-4-propan-2-ylpiperazin-1-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 56745157
(2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
CID 72911490
(2,4-dimethylpyrimidin-5-yl)-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 97142002
[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-quinolin-6-ylmethanone
CID 96574836
[6-(ethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112628648
[6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62180267
[6-(2-methylprop-2-enylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 26335118
[3-(dimethylamino)phenyl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 96578559
[3-(dimethylamino)phenyl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
CID 70762011
[6-(ethylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 55042855

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-propan-2-ylpiperazin-1-yl)-[6-(2-methylprop-2-enylamino)-3-pyridinyl]methanone?
The IUPAC name of (3-ethyl-4-propan-2-ylpiperazin-1-yl)-[6-(2-methylprop-2-enylamino)-3-pyridinyl]methanone (CID 45191322) is (3-ethyl-4-propan-2-ylpiperazin-1-yl)-[6-(2-methylprop-2-enylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (3-ethyl-4-propan-2-ylpiperazin-1-yl)-[6-(2-methylprop-2-enylamino)-3-pyridinyl]methanone?
The canonical SMILES for (3-ethyl-4-propan-2-ylpiperazin-1-yl)-[6-(2-methylprop-2-enylamino)-3-pyridinyl]methanone is C=C(C)CNc1ccc(C(=O)N2CCN(C(C)C)C(CC)C2)cn1.
What is the InChIKey of (3-ethyl-4-propan-2-ylpiperazin-1-yl)-[6-(2-methylprop-2-enylamino)-3-pyridinyl]methanone?
The InChIKey is RWYSMSSHZOURRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-6-17-13-22(9-10-23(17)15(4)5)19(24)16-7-8-18(21-12-16)20-11-14(2)3/h7-8,12,15,17H,2,6,9-11,13H2,1,3-5H3,(H,20,21).
What are the key properties of (3-ethyl-4-propan-2-ylpiperazin-1-yl)-[6-(2-methylprop-2-enylamino)-3-pyridinyl]methanone?
(3-ethyl-4-propan-2-ylpiperazin-1-yl)-[6-(2-methylprop-2-enylamino)-3-pyridinyl]methanone has a molecular weight of 330.48 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-propan-2-ylpiperazin-1-yl)-[6-(2-methylprop-2-enylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 45191322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).