N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide

C12H17N3O3 — CID 28826303

IUPACN-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H17N3O3/c16-11-2-1-10(9-14-11)12(17)13-3-4-15-5-7-18-8-6-15/h1-2,9H,3-8H2,(H,13,17)(H,14,16)
InChIKeyBNPSDTRXYVPPCU-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.56
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide

N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 28826303) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID28826303
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H17N3O3/c16-11-2-1-10(9-14-11)12(17)13-3-4-15-5-7-18-8-6-15/h1-2,9H,3-8H2,(H,13,17)(H,14,16)
InChIKeyBNPSDTRXYVPPCU-UHFFFAOYSA-N
XLogP-0.56
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide (CID 28826303) is N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide is O=C(NCCN1CCOCC1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is BNPSDTRXYVPPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-11-2-1-10(9-14-11)12(17)13-3-4-15-5-7-18-8-6-15/h1-2,9H,3-8H2,(H,13,17)(H,14,16).
What are the key properties of N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 28826303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).