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

C17H19ClN4O — CID 134574555

IUPAC[4-(3-amino-4-pyridinyl)-3-chlorophenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3ccncc3N)c(Cl)c2)CC1
InChIInChI=1S/C17H19ClN4O/c1-21-6-8-22(9-7-21)17(23)12-2-3-13(15(18)10-12)14-4-5-20-11-16(14)19/h2-5,10-11H,6-9,19H2,1H3
InChIKeyLLJUBQRZDDVTFT-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.37
Rot. Bonds2

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

[4-(3-amino-4-pyridinyl)-3-chlorophenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 134574555) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is [4-(3-amino-4-pyridinyl)-3-chlorophenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(3-amino-4-pyridinyl)-3-chlorophenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID134574555
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name[4-(3-amino-4-pyridinyl)-3-chlorophenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3ccncc3N)c(Cl)c2)CC1
InChIInChI=1S/C17H19ClN4O/c1-21-6-8-22(9-7-21)17(23)12-2-3-13(15(18)10-12)14-4-5-20-11-16(14)19/h2-5,10-11H,6-9,19H2,1H3
InChIKeyLLJUBQRZDDVTFT-UHFFFAOYSA-N
XLogP2.37
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-amino-4-pyridinyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 90205745
(3,4-dichlorophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 17163669
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 39565978
(4-chloro-3-fluorophenyl)-(4-methylpiperazin-1-yl)methanone
CID 103875464
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 78783392
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide
CID 161097757
(2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 59274108
(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 112702155
[4-(3-chloro-4-fluorobenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808597
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-methylfuran-3-yl)methanone
CID 114818622

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-4-pyridinyl)-3-chlorophenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-(3-amino-4-pyridinyl)-3-chlorophenyl]-(4-methylpiperazin-1-yl)methanone (CID 134574555) is [4-(3-amino-4-pyridinyl)-3-chlorophenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(3-amino-4-pyridinyl)-3-chlorophenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(3-amino-4-pyridinyl)-3-chlorophenyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(-c3ccncc3N)c(Cl)c2)CC1.
What is the InChIKey of [4-(3-amino-4-pyridinyl)-3-chlorophenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is LLJUBQRZDDVTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-21-6-8-22(9-7-21)17(23)12-2-3-13(15(18)10-12)14-4-5-20-11-16(14)19/h2-5,10-11H,6-9,19H2,1H3.
What are the key properties of [4-(3-amino-4-pyridinyl)-3-chlorophenyl]-(4-methylpiperazin-1-yl)methanone?
[4-(3-amino-4-pyridinyl)-3-chlorophenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 330.82 g/mol, XLogP of 2.37, 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)-3-chlorophenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 134574555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).