[2-(butan-2-ylamino)-4-pyridinyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

C22H30N4O — CID 109165914

IUPAC[2-(butan-2-ylamino)-4-pyridinyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
SMILESCCC(C)Nc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)ccn1
InChIInChI=1S/C22H30N4O/c1-5-17(3)24-21-15-19(9-10-23-21)22(27)26-13-11-25(12-14-26)20-8-6-7-16(2)18(20)4/h6-10,15,17H,5,11-14H2,1-4H3,(H,23,24)
InChIKeyUWJNFYDQRQNWPY-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.87
Rot. Bonds5

About [2-(butan-2-ylamino)-4-pyridinyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

[2-(butan-2-ylamino)-4-pyridinyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone (PubChem CID 109165914) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is [2-(butan-2-ylamino)-4-pyridinyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(butan-2-ylamino)-4-pyridinyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
PubChem CID109165914
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name[2-(butan-2-ylamino)-4-pyridinyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
SMILESCCC(C)Nc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)ccn1
InChIInChI=1S/C22H30N4O/c1-5-17(3)24-21-15-19(9-10-23-21)22(27)26-13-11-25(12-14-26)20-8-6-7-16(2)18(20)4/h6-10,15,17H,5,11-14H2,1-4H3,(H,23,24)
InChIKeyUWJNFYDQRQNWPY-UHFFFAOYSA-N
XLogP3.87
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(butan-2-ylamino)-4-pyridinyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone
CID 109174427
[2-(butan-2-ylamino)pyrimidin-5-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109249071
(2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 110854415
N-butan-2-yl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzamide
CID 109044078
N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112883531
N-butyl-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109079242
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 17471283
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone
CID 109201209
(3-amino-4-methylphenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28723517
ethyl 4-[2-(2,3-dimethylanilino)pyridine-4-carbonyl]piperazine-1-carboxylate
CID 109174269
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone
CID 17217267
(3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 26881725

Frequently Asked Questions

What is the IUPAC name of [2-(butan-2-ylamino)-4-pyridinyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(butan-2-ylamino)-4-pyridinyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone (CID 109165914) is [2-(butan-2-ylamino)-4-pyridinyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(butan-2-ylamino)-4-pyridinyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(butan-2-ylamino)-4-pyridinyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone is CCC(C)Nc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)ccn1.
What is the InChIKey of [2-(butan-2-ylamino)-4-pyridinyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The InChIKey is UWJNFYDQRQNWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-5-17(3)24-21-15-19(9-10-23-21)22(27)26-13-11-25(12-14-26)20-8-6-7-16(2)18(20)4/h6-10,15,17H,5,11-14H2,1-4H3,(H,23,24).
What are the key properties of [2-(butan-2-ylamino)-4-pyridinyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
[2-(butan-2-ylamino)-4-pyridinyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone has a molecular weight of 366.51 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butan-2-ylamino)-4-pyridinyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109165914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).