[3-chloro-6-(methylamino)-2-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone

C14H21ClN4O — CID 114540409

IUPAC[3-chloro-6-(methylamino)-2-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCNc1ccc(Cl)c(C(=O)N2CC(C)N(C)C(C)C2)n1
InChIInChI=1S/C14H21ClN4O/c1-9-7-19(8-10(2)18(9)4)14(20)13-11(15)5-6-12(16-3)17-13/h5-6,9-10H,7-8H2,1-4H3,(H,16,17)
InChIKeyQIYAXXFJOREUTF-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.94
Rot. Bonds2

About [3-chloro-6-(methylamino)-2-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone

[3-chloro-6-(methylamino)-2-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone (PubChem CID 114540409) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is [3-chloro-6-(methylamino)-2-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-chloro-6-(methylamino)-2-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
PubChem CID114540409
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name[3-chloro-6-(methylamino)-2-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCNc1ccc(Cl)c(C(=O)N2CC(C)N(C)C(C)C2)n1
InChIInChI=1S/C14H21ClN4O/c1-9-7-19(8-10(2)18(9)4)14(20)13-11(15)5-6-12(16-3)17-13/h5-6,9-10H,7-8H2,1-4H3,(H,16,17)
InChIKeyQIYAXXFJOREUTF-UHFFFAOYSA-N
XLogP1.94
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(methylamino)-2-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone?
The IUPAC name of [3-chloro-6-(methylamino)-2-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone (CID 114540409) is [3-chloro-6-(methylamino)-2-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-chloro-6-(methylamino)-2-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for [3-chloro-6-(methylamino)-2-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone is CNc1ccc(Cl)c(C(=O)N2CC(C)N(C)C(C)C2)n1.
What is the InChIKey of [3-chloro-6-(methylamino)-2-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone?
The InChIKey is QIYAXXFJOREUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-9-7-19(8-10(2)18(9)4)14(20)13-11(15)5-6-12(16-3)17-13/h5-6,9-10H,7-8H2,1-4H3,(H,16,17).
What are the key properties of [3-chloro-6-(methylamino)-2-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone?
[3-chloro-6-(methylamino)-2-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone has a molecular weight of 296.80 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(methylamino)-2-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 114540409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).