N-(3-chloro-2-methyl-4-pyridinyl)-4-methylmorpholine-2-carboxamide

C12H16ClN3O2 — CID 84599710

IUPACN-(3-chloro-2-methyl-4-pyridinyl)-4-methylmorpholine-2-carboxamide
SMILESCc1nccc(NC(=O)C2CN(C)CCO2)c1Cl
InChIInChI=1S/C12H16ClN3O2/c1-8-11(13)9(3-4-14-8)15-12(17)10-7-16(2)5-6-18-10/h3-4,10H,5-7H2,1-2H3,(H,14,15,17)
InChIKeyLKPDVEVNGHNWEC-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.31
Rot. Bonds2

About N-(3-chloro-2-methyl-4-pyridinyl)-4-methylmorpholine-2-carboxamide

N-(3-chloro-2-methyl-4-pyridinyl)-4-methylmorpholine-2-carboxamide (PubChem CID 84599710) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is N-(3-chloro-2-methyl-4-pyridinyl)-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methyl-4-pyridinyl)-4-methylmorpholine-2-carboxamide
PubChem CID84599710
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC NameN-(3-chloro-2-methyl-4-pyridinyl)-4-methylmorpholine-2-carboxamide
SMILESCc1nccc(NC(=O)C2CN(C)CCO2)c1Cl
InChIInChI=1S/C12H16ClN3O2/c1-8-11(13)9(3-4-14-8)15-12(17)10-7-16(2)5-6-18-10/h3-4,10H,5-7H2,1-2H3,(H,14,15,17)
InChIKeyLKPDVEVNGHNWEC-UHFFFAOYSA-N
XLogP1.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methyl-4-pyridinyl)-4-methylmorpholine-2-carboxamide?
The IUPAC name of N-(3-chloro-2-methyl-4-pyridinyl)-4-methylmorpholine-2-carboxamide (CID 84599710) is N-(3-chloro-2-methyl-4-pyridinyl)-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methyl-4-pyridinyl)-4-methylmorpholine-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-methyl-4-pyridinyl)-4-methylmorpholine-2-carboxamide is Cc1nccc(NC(=O)C2CN(C)CCO2)c1Cl.
What is the InChIKey of N-(3-chloro-2-methyl-4-pyridinyl)-4-methylmorpholine-2-carboxamide?
The InChIKey is LKPDVEVNGHNWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-8-11(13)9(3-4-14-8)15-12(17)10-7-16(2)5-6-18-10/h3-4,10H,5-7H2,1-2H3,(H,14,15,17).
What are the key properties of N-(3-chloro-2-methyl-4-pyridinyl)-4-methylmorpholine-2-carboxamide?
N-(3-chloro-2-methyl-4-pyridinyl)-4-methylmorpholine-2-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methyl-4-pyridinyl)-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 84599710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).