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

C18H22N4O — CID 110854415

IUPAC(2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccnc(N)c3)CC2)c1C
InChIInChI=1S/C18H22N4O/c1-13-4-3-5-16(14(13)2)21-8-10-22(11-9-21)18(23)15-6-7-20-17(19)12-15/h3-7,12H,8-11H2,1-2H3,(H2,19,20)
InChIKeyRPMOAPGDEDTDLO-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.24
Rot. Bonds2

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

(2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone (PubChem CID 110854415) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
PubChem CID110854415
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccnc(N)c3)CC2)c1C
InChIInChI=1S/C18H22N4O/c1-13-4-3-5-16(14(13)2)21-8-10-22(11-9-21)18(23)15-6-7-20-17(19)12-15/h3-7,12H,8-11H2,1-2H3,(H2,19,20)
InChIKeyRPMOAPGDEDTDLO-UHFFFAOYSA-N
XLogP2.24
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-4-methylphenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28723517
(4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28722555
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone
CID 109174427
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 17471283
[2-(butan-2-ylamino)-4-pyridinyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109165914
(3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 26881725
(5,6-dichloro-3-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 2102498
[4-(2,3-dimethylphenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanone
CID 146045172
1,3-benzothiazol-6-yl-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 2102399
(4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 1221745
2-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide
CID 8968543
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 2712772

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone (CID 110854415) is (2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)c3ccnc(N)c3)CC2)c1C.
What is the InChIKey of (2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The InChIKey is RPMOAPGDEDTDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-4-3-5-16(14(13)2)21-8-10-22(11-9-21)18(23)15-6-7-20-17(19)12-15/h3-7,12H,8-11H2,1-2H3,(H2,19,20).
What are the key properties of (2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
(2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone has a molecular weight of 310.40 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110854415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).