[4-(3-chloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C17H19ClN4O — CID 109208151

IUPAC[4-(3-chloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc(Nc3cccc(Cl)c3)ccn2)CC1
InChIInChI=1S/C17H19ClN4O/c1-21-7-9-22(10-8-21)17(23)16-12-15(5-6-19-16)20-14-4-2-3-13(18)11-14/h2-6,11-12H,7-10H2,1H3,(H,19,20)
InChIKeyBCNIEUVGXHOHIF-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.87
Rot. Bonds3

About [4-(3-chloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[4-(3-chloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109208151) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is [4-(3-chloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(3-chloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109208151
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name[4-(3-chloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc(Nc3cccc(Cl)c3)ccn2)CC1
InChIInChI=1S/C17H19ClN4O/c1-21-7-9-22(10-8-21)17(23)16-12-15(5-6-19-16)20-14-4-2-3-13(18)11-14/h2-6,11-12H,7-10H2,1H3,(H,19,20)
InChIKeyBCNIEUVGXHOHIF-UHFFFAOYSA-N
XLogP2.87
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-bromoanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208197
[4-(3-methoxyanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208164
(4-anilino-2-pyridinyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109216106
[4-(3,5-dimethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208134
[6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367097
1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209061
[4-(3,5-dichloroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208539
(4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109208189
1-[4-[4-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209127
1-[4-[4-(3-chloro-4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209092
[4-(3-fluoroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203769
ethyl 4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109215913

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-(3-chloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 109208151) is [4-(3-chloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(3-chloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(3-chloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc(Nc3cccc(Cl)c3)ccn2)CC1.
What is the InChIKey of [4-(3-chloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is BCNIEUVGXHOHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-21-7-9-22(10-8-21)17(23)16-12-15(5-6-19-16)20-14-4-2-3-13(18)11-14/h2-6,11-12H,7-10H2,1H3,(H,19,20).
What are the key properties of [4-(3-chloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[4-(3-chloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 330.82 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109208151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).