[4-(3-amino-4-pyridinyl)phenyl]-(4-methylpiperazin-1-yl)methanone

C17H20N4O — CID 90205745

IUPAC[4-(3-amino-4-pyridinyl)phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3ccncc3N)cc2)CC1
InChIInChI=1S/C17H20N4O/c1-20-8-10-21(11-9-20)17(22)14-4-2-13(3-5-14)15-6-7-19-12-16(15)18/h2-7,12H,8-11,18H2,1H3
InChIKeyWUMALIHZVQLBKI-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.72
Rot. Bonds2

About [4-(3-amino-4-pyridinyl)phenyl]-(4-methylpiperazin-1-yl)methanone

[4-(3-amino-4-pyridinyl)phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 90205745) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is [4-(3-amino-4-pyridinyl)phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(3-amino-4-pyridinyl)phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID90205745
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name[4-(3-amino-4-pyridinyl)phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3ccncc3N)cc2)CC1
InChIInChI=1S/C17H20N4O/c1-20-8-10-21(11-9-20)17(22)14-4-2-13(3-5-14)15-6-7-19-12-16(15)18/h2-7,12H,8-11,18H2,1H3
InChIKeyWUMALIHZVQLBKI-UHFFFAOYSA-N
XLogP1.72
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-amino-4-pyridinyl)-3-chlorophenyl]-(4-methylpiperazin-1-yl)methanone
CID 134574555
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
[4-(3-amino-4-pyridinyl)phenyl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone
CID 90205476
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 43462403
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
[4-(3-methoxy-4-pyridinyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 162632308
(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 112702155
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
[4-(3-amino-4-pyridinyl)phenyl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125437111
[4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 91665654
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
4-(4-methylpiperazine-1-carbonyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide
CID 90172696

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-4-pyridinyl)phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-(3-amino-4-pyridinyl)phenyl]-(4-methylpiperazin-1-yl)methanone (CID 90205745) is [4-(3-amino-4-pyridinyl)phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(3-amino-4-pyridinyl)phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(3-amino-4-pyridinyl)phenyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(-c3ccncc3N)cc2)CC1.
What is the InChIKey of [4-(3-amino-4-pyridinyl)phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is WUMALIHZVQLBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-20-8-10-21(11-9-20)17(22)14-4-2-13(3-5-14)15-6-7-19-12-16(15)18/h2-7,12H,8-11,18H2,1H3.
What are the key properties of [4-(3-amino-4-pyridinyl)phenyl]-(4-methylpiperazin-1-yl)methanone?
[4-(3-amino-4-pyridinyl)phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 296.37 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-4-pyridinyl)phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 90205745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).