N,1-bis(2-hydroxyethyl)-4-oxopyridine-2-carboxamide

C10H14N2O4 — CID 139721487

IUPACN,1-bis(2-hydroxyethyl)-4-oxopyridine-2-carboxamide
SMILESO=C(NCCO)c1cc(=O)ccn1CCO
InChIInChI=1S/C10H14N2O4/c13-5-2-11-10(16)9-7-8(15)1-3-12(9)4-6-14/h1,3,7,13-14H,2,4-6H2,(H,11,16)
InChIKeyPYVMKAYKBAHENY-UHFFFAOYSA-N
MW226.23 g/mol
LogP-1.44
Rot. Bonds5

About N,1-bis(2-hydroxyethyl)-4-oxopyridine-2-carboxamide

N,1-bis(2-hydroxyethyl)-4-oxopyridine-2-carboxamide (PubChem CID 139721487) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is N,1-bis(2-hydroxyethyl)-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound NameN,1-bis(2-hydroxyethyl)-4-oxopyridine-2-carboxamide
PubChem CID139721487
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC NameN,1-bis(2-hydroxyethyl)-4-oxopyridine-2-carboxamide
SMILESO=C(NCCO)c1cc(=O)ccn1CCO
InChIInChI=1S/C10H14N2O4/c13-5-2-11-10(16)9-7-8(15)1-3-12(9)4-6-14/h1,3,7,13-14H,2,4-6H2,(H,11,16)
InChIKeyPYVMKAYKBAHENY-UHFFFAOYSA-N
XLogP-1.44
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-bis(2-hydroxyethyl)-4-oxopyridine-2-carboxamide?
The IUPAC name of N,1-bis(2-hydroxyethyl)-4-oxopyridine-2-carboxamide (CID 139721487) is N,1-bis(2-hydroxyethyl)-4-oxopyridine-2-carboxamide.
What is the SMILES notation for N,1-bis(2-hydroxyethyl)-4-oxopyridine-2-carboxamide?
The canonical SMILES for N,1-bis(2-hydroxyethyl)-4-oxopyridine-2-carboxamide is O=C(NCCO)c1cc(=O)ccn1CCO.
What is the InChIKey of N,1-bis(2-hydroxyethyl)-4-oxopyridine-2-carboxamide?
The InChIKey is PYVMKAYKBAHENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c13-5-2-11-10(16)9-7-8(15)1-3-12(9)4-6-14/h1,3,7,13-14H,2,4-6H2,(H,11,16).
What are the key properties of N,1-bis(2-hydroxyethyl)-4-oxopyridine-2-carboxamide?
N,1-bis(2-hydroxyethyl)-4-oxopyridine-2-carboxamide has a molecular weight of 226.23 g/mol, XLogP of -1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(2-hydroxyethyl)-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 139721487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).