2-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,N-dimethylacetamide

C14H23ClN4O — CID 62890423

IUPAC2-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,N-dimethylacetamide
SMILESCCCNc1ccc(Cl)c(CN(C)CC(=O)N(C)C)n1
InChIInChI=1S/C14H23ClN4O/c1-5-8-16-13-7-6-11(15)12(17-13)9-19(4)10-14(20)18(2)3/h6-7H,5,8-10H2,1-4H3,(H,16,17)
InChIKeyRJGZRIKSLCAIQC-UHFFFAOYSA-N
MW298.82 g/mol
LogP2.08
Rot. Bonds7

About 2-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,N-dimethylacetamide

2-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,N-dimethylacetamide (PubChem CID 62890423) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is 2-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,N-dimethylacetamide
PubChem CID62890423
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name2-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,N-dimethylacetamide
SMILESCCCNc1ccc(Cl)c(CN(C)CC(=O)N(C)C)n1
InChIInChI=1S/C14H23ClN4O/c1-5-8-16-13-7-6-11(15)12(17-13)9-19(4)10-14(20)18(2)3/h6-7H,5,8-10H2,1-4H3,(H,16,17)
InChIKeyRJGZRIKSLCAIQC-UHFFFAOYSA-N
XLogP2.08
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,N-dimethylacetamide (CID 62890423) is 2-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,N-dimethylacetamide is CCCNc1ccc(Cl)c(CN(C)CC(=O)N(C)C)n1.
What is the InChIKey of 2-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,N-dimethylacetamide?
The InChIKey is RJGZRIKSLCAIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-5-8-16-13-7-6-11(15)12(17-13)9-19(4)10-14(20)18(2)3/h6-7H,5,8-10H2,1-4H3,(H,16,17).
What are the key properties of 2-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,N-dimethylacetamide?
2-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 298.82 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 62890423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).