[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C19H23ClN4O — CID 109154641

IUPAC[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cc(C)c(Nc2ccc(C(=O)N3CCN(C)CC3)cn2)c(Cl)c1
InChIInChI=1S/C19H23ClN4O/c1-13-10-14(2)18(16(20)11-13)22-17-5-4-15(12-21-17)19(25)24-8-6-23(3)7-9-24/h4-5,10-12H,6-9H2,1-3H3,(H,21,22)
InChIKeyZJRSNGYZDBAWAD-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.48
Rot. Bonds3

About [6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109154641) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is [6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109154641
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cc(C)c(Nc2ccc(C(=O)N3CCN(C)CC3)cn2)c(Cl)c1
InChIInChI=1S/C19H23ClN4O/c1-13-10-14(2)18(16(20)11-13)22-17-5-4-15(12-21-17)19(25)24-8-6-23(3)7-9-24/h4-5,10-12H,6-9H2,1-3H3,(H,21,22)
InChIKeyZJRSNGYZDBAWAD-UHFFFAOYSA-N
XLogP3.48
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152635
2,6-dichloro-N-[6-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]pyrimidin-4-yl]benzamide
CID 59618216
(4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109154661
1-[4-[6-(3,4-dichloroanilino)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109155276
[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275114
N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine-1-carboxamide
CID 108988438
4-[6-(2-chloro-4,6-dimethylanilino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345798
N-(2-chloro-4,6-dimethylphenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081130
N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113019057
[6-(3,5-dichloroanilino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153503
4-[[6-(2-chloro-4,6-dimethylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113192961
5-(azepane-1-carbonyl)-N-(2-chloro-4,6-dimethylphenyl)pyridine-3-carboxamide
CID 109107702

Frequently Asked Questions

What is the IUPAC name of [6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 109154641) is [6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is Cc1cc(C)c(Nc2ccc(C(=O)N3CCN(C)CC3)cn2)c(Cl)c1.
What is the InChIKey of [6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is ZJRSNGYZDBAWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-13-10-14(2)18(16(20)11-13)22-17-5-4-15(12-21-17)19(25)24-8-6-23(3)7-9-24/h4-5,10-12H,6-9H2,1-3H3,(H,21,22).
What are the key properties of [6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 358.87 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109154641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).