3-hydroxy-1-methyl-2-oxo-N-propylpyridine-4-carboxamide

C40H56N8O12 — CID 139131195

IUPAC3-hydroxy-1-methyl-2-oxo-N-propylpyridine-4-carboxamide
SMILESCCCNC(=O)c1ccn(C)c(=O)c1O.CCCNC(=O)c1ccn(C)c(=O)c1O.CCCNC(=O)c1ccn(C)c(=O)c1O.CCCNC(=O)c1ccn(C)c(=O)c1O
InChIInChI=1S/4C10H14N2O3/c4*1-3-5-11-9(14)7-4-6-12(2)10(15)8(7)13/h4*4,6,13H,3,5H2,1-2H3,(H,11,14)
InChIKeySNZKJTXWRAERBW-UHFFFAOYSA-N
MW840.93 g/mol
LogP0.92
Rot. Bonds12

About 3-hydroxy-1-methyl-2-oxo-N-propylpyridine-4-carboxamide

3-hydroxy-1-methyl-2-oxo-N-propylpyridine-4-carboxamide (PubChem CID 139131195) has the molecular formula C40H56N8O12 and a molecular weight of 840.93 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-2-oxo-N-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-1-methyl-2-oxo-N-propylpyridine-4-carboxamide
PubChem CID139131195
Molecular FormulaC40H56N8O12
Molecular Weight840.93 g/mol
Exact Mass840.40
IUPAC Name3-hydroxy-1-methyl-2-oxo-N-propylpyridine-4-carboxamide
SMILESCCCNC(=O)c1ccn(C)c(=O)c1O.CCCNC(=O)c1ccn(C)c(=O)c1O.CCCNC(=O)c1ccn(C)c(=O)c1O.CCCNC(=O)c1ccn(C)c(=O)c1O
InChIInChI=1S/4C10H14N2O3/c4*1-3-5-11-9(14)7-4-6-12(2)10(15)8(7)13/h4*4,6,13H,3,5H2,1-2H3,(H,11,14)
InChIKeySNZKJTXWRAERBW-UHFFFAOYSA-N
XLogP0.92
TPSA285.32 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500840.93
LogP ≤ 50.92
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-2-oxo-N-propylpyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-1-methyl-2-oxo-N-propylpyridine-4-carboxamide (CID 139131195) is 3-hydroxy-1-methyl-2-oxo-N-propylpyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-1-methyl-2-oxo-N-propylpyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-1-methyl-2-oxo-N-propylpyridine-4-carboxamide is CCCNC(=O)c1ccn(C)c(=O)c1O.CCCNC(=O)c1ccn(C)c(=O)c1O.CCCNC(=O)c1ccn(C)c(=O)c1O.CCCNC(=O)c1ccn(C)c(=O)c1O.
What is the InChIKey of 3-hydroxy-1-methyl-2-oxo-N-propylpyridine-4-carboxamide?
The InChIKey is SNZKJTXWRAERBW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H14N2O3/c4*1-3-5-11-9(14)7-4-6-12(2)10(15)8(7)13/h4*4,6,13H,3,5H2,1-2H3,(H,11,14).
What are the key properties of 3-hydroxy-1-methyl-2-oxo-N-propylpyridine-4-carboxamide?
3-hydroxy-1-methyl-2-oxo-N-propylpyridine-4-carboxamide has a molecular weight of 840.93 g/mol, XLogP of 0.92, 12 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-2-oxo-N-propylpyridine-4-carboxamide is sourced from PubChem (CID 139131195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).