2,3-dimethyl-5-morpholin-4-yl-6-pyridin-3-ylpyridine-4-carboxamide

C17H20N4O2 — CID 118065512

IUPAC2,3-dimethyl-5-morpholin-4-yl-6-pyridin-3-ylpyridine-4-carboxamide
SMILESCc1nc(-c2cccnc2)c(N2CCOCC2)c(C(N)=O)c1C
InChIInChI=1S/C17H20N4O2/c1-11-12(2)20-15(13-4-3-5-19-10-13)16(14(11)17(18)22)21-6-8-23-9-7-21/h3-5,10H,6-9H2,1-2H3,(H2,18,22)
InChIKeyGXTLRNFXHFJSCF-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.70
Rot. Bonds3

About 2,3-dimethyl-5-morpholin-4-yl-6-pyridin-3-ylpyridine-4-carboxamide

2,3-dimethyl-5-morpholin-4-yl-6-pyridin-3-ylpyridine-4-carboxamide (PubChem CID 118065512) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2,3-dimethyl-5-morpholin-4-yl-6-pyridin-3-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-5-morpholin-4-yl-6-pyridin-3-ylpyridine-4-carboxamide
PubChem CID118065512
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2,3-dimethyl-5-morpholin-4-yl-6-pyridin-3-ylpyridine-4-carboxamide
SMILESCc1nc(-c2cccnc2)c(N2CCOCC2)c(C(N)=O)c1C
InChIInChI=1S/C17H20N4O2/c1-11-12(2)20-15(13-4-3-5-19-10-13)16(14(11)17(18)22)21-6-8-23-9-7-21/h3-5,10H,6-9H2,1-2H3,(H2,18,22)
InChIKeyGXTLRNFXHFJSCF-UHFFFAOYSA-N
XLogP1.70
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-morpholin-4-yl-6-pyridin-3-ylpyridine-4-carboxamide?
The IUPAC name of 2,3-dimethyl-5-morpholin-4-yl-6-pyridin-3-ylpyridine-4-carboxamide (CID 118065512) is 2,3-dimethyl-5-morpholin-4-yl-6-pyridin-3-ylpyridine-4-carboxamide.
What is the SMILES notation for 2,3-dimethyl-5-morpholin-4-yl-6-pyridin-3-ylpyridine-4-carboxamide?
The canonical SMILES for 2,3-dimethyl-5-morpholin-4-yl-6-pyridin-3-ylpyridine-4-carboxamide is Cc1nc(-c2cccnc2)c(N2CCOCC2)c(C(N)=O)c1C.
What is the InChIKey of 2,3-dimethyl-5-morpholin-4-yl-6-pyridin-3-ylpyridine-4-carboxamide?
The InChIKey is GXTLRNFXHFJSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11-12(2)20-15(13-4-3-5-19-10-13)16(14(11)17(18)22)21-6-8-23-9-7-21/h3-5,10H,6-9H2,1-2H3,(H2,18,22).
What are the key properties of 2,3-dimethyl-5-morpholin-4-yl-6-pyridin-3-ylpyridine-4-carboxamide?
2,3-dimethyl-5-morpholin-4-yl-6-pyridin-3-ylpyridine-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-morpholin-4-yl-6-pyridin-3-ylpyridine-4-carboxamide is sourced from PubChem (CID 118065512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).