3-(6-amino-5-chloro-3-pyridinyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide

C17H21ClN4O — CID 122568727

IUPAC3-(6-amino-5-chloro-3-pyridinyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1cccc(-c2cnc(N)c(Cl)c2)c1
InChIInChI=1S/C17H21ClN4O/c1-21(2)7-8-22(3)17(23)13-6-4-5-12(9-13)14-10-15(18)16(19)20-11-14/h4-6,9-11H,7-8H2,1-3H3,(H2,19,20)
InChIKeyUXRPKTRJGBUDSP-UHFFFAOYSA-N
MW332.84 g/mol
LogP2.62
Rot. Bonds5

About 3-(6-amino-5-chloro-3-pyridinyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide

3-(6-amino-5-chloro-3-pyridinyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide (PubChem CID 122568727) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 3-(6-amino-5-chloro-3-pyridinyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(6-amino-5-chloro-3-pyridinyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
PubChem CID122568727
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name3-(6-amino-5-chloro-3-pyridinyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1cccc(-c2cnc(N)c(Cl)c2)c1
InChIInChI=1S/C17H21ClN4O/c1-21(2)7-8-22(3)17(23)13-6-4-5-12(9-13)14-10-15(18)16(19)20-11-14/h4-6,9-11H,7-8H2,1-3H3,(H2,19,20)
InChIKeyUXRPKTRJGBUDSP-UHFFFAOYSA-N
XLogP2.62
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-5-chloro-3-pyridinyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The IUPAC name of 3-(6-amino-5-chloro-3-pyridinyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide (CID 122568727) is 3-(6-amino-5-chloro-3-pyridinyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide.
What is the SMILES notation for 3-(6-amino-5-chloro-3-pyridinyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The canonical SMILES for 3-(6-amino-5-chloro-3-pyridinyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide is CN(C)CCN(C)C(=O)c1cccc(-c2cnc(N)c(Cl)c2)c1.
What is the InChIKey of 3-(6-amino-5-chloro-3-pyridinyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The InChIKey is UXRPKTRJGBUDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-21(2)7-8-22(3)17(23)13-6-4-5-12(9-13)14-10-15(18)16(19)20-11-14/h4-6,9-11H,7-8H2,1-3H3,(H2,19,20).
What are the key properties of 3-(6-amino-5-chloro-3-pyridinyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
3-(6-amino-5-chloro-3-pyridinyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide has a molecular weight of 332.84 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-5-chloro-3-pyridinyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide is sourced from PubChem (CID 122568727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).