N,1-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxopyridine-4-carboxamide

C17H20N4O3 — CID 136530503

IUPACN,1-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxopyridine-4-carboxamide
SMILESCN(C(=O)c1ccn(C)c(=O)c1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H20N4O3/c1-19-6-5-13(11-16(19)22)17(23)20(2)14-3-4-15(18-12-14)21-7-9-24-10-8-21/h3-6,11-12H,7-10H2,1-2H3
InChIKeyXBTLXHWUZFWSJJ-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.89
Rot. Bonds3

About N,1-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxopyridine-4-carboxamide

N,1-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxopyridine-4-carboxamide (PubChem CID 136530503) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N,1-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxopyridine-4-carboxamide
PubChem CID136530503
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN,1-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxopyridine-4-carboxamide
SMILESCN(C(=O)c1ccn(C)c(=O)c1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H20N4O3/c1-19-6-5-13(11-16(19)22)17(23)20(2)14-3-4-15(18-12-14)21-7-9-24-10-8-21/h3-6,11-12H,7-10H2,1-2H3
InChIKeyXBTLXHWUZFWSJJ-UHFFFAOYSA-N
XLogP0.89
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxopyridine-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxopyridine-4-carboxamide (CID 136530503) is N,1-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxopyridine-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxopyridine-4-carboxamide is CN(C(=O)c1ccn(C)c(=O)c1)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of N,1-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxopyridine-4-carboxamide?
The InChIKey is XBTLXHWUZFWSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-19-6-5-13(11-16(19)22)17(23)20(2)14-3-4-15(18-12-14)21-7-9-24-10-8-21/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of N,1-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxopyridine-4-carboxamide?
N,1-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxopyridine-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 136530503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).