N-(2-amino-2-oxoethyl)-3-hydroxy-N-pyrrolidin-3-ylpyridine-4-carboxamide

C12H16N4O3 — CID 81445402

IUPACN-(2-amino-2-oxoethyl)-3-hydroxy-N-pyrrolidin-3-ylpyridine-4-carboxamide
SMILESNC(=O)CN(C(=O)c1ccncc1O)C1CCNC1
InChIInChI=1S/C12H16N4O3/c13-11(18)7-16(8-1-3-14-5-8)12(19)9-2-4-15-6-10(9)17/h2,4,6,8,14,17H,1,3,5,7H2,(H2,13,18)
InChIKeyQYJDEBJBUPXTCU-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.92
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-3-hydroxy-N-pyrrolidin-3-ylpyridine-4-carboxamide

N-(2-amino-2-oxoethyl)-3-hydroxy-N-pyrrolidin-3-ylpyridine-4-carboxamide (PubChem CID 81445402) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-hydroxy-N-pyrrolidin-3-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-hydroxy-N-pyrrolidin-3-ylpyridine-4-carboxamide
PubChem CID81445402
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN-(2-amino-2-oxoethyl)-3-hydroxy-N-pyrrolidin-3-ylpyridine-4-carboxamide
SMILESNC(=O)CN(C(=O)c1ccncc1O)C1CCNC1
InChIInChI=1S/C12H16N4O3/c13-11(18)7-16(8-1-3-14-5-8)12(19)9-2-4-15-6-10(9)17/h2,4,6,8,14,17H,1,3,5,7H2,(H2,13,18)
InChIKeyQYJDEBJBUPXTCU-UHFFFAOYSA-N
XLogP-0.92
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-oxoethyl)-3-hydroxy-N-piperidin-3-ylpyridine-4-carboxamide
CID 81445654
N-ethyl-3-hydroxy-N-piperidin-4-ylpyridine-4-carboxamide
CID 81443530
N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-ylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103117362
N-(2-amino-2-oxoethyl)-2,5-difluoro-N-pyrrolidin-3-ylbenzamide
CID 60806689
N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 107014678
N-(2-amino-2-oxoethyl)-4-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide
CID 107675675
N-(2-amino-2-oxoethyl)-2-hydroxy-3-methoxy-N-pyrrolidin-3-ylbenzamide
CID 60806691
N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-fluoropyridine-4-carboxamide
CID 115645919
N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-ylcyclopropanecarboxamide
CID 60806195
N-cyclopropyl-3-hydroxy-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide
CID 106626974
N-(2-chloroethyl)-N-cyclopentyl-3-hydroxypyridine-4-carboxamide
CID 81442647
N-(2-amino-2-oxoethyl)-N-piperidin-4-yl-3-pyridin-4-ylpropanamide
CID 114289948

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-hydroxy-N-pyrrolidin-3-ylpyridine-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-hydroxy-N-pyrrolidin-3-ylpyridine-4-carboxamide (CID 81445402) is N-(2-amino-2-oxoethyl)-3-hydroxy-N-pyrrolidin-3-ylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-hydroxy-N-pyrrolidin-3-ylpyridine-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-hydroxy-N-pyrrolidin-3-ylpyridine-4-carboxamide is NC(=O)CN(C(=O)c1ccncc1O)C1CCNC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-hydroxy-N-pyrrolidin-3-ylpyridine-4-carboxamide?
The InChIKey is QYJDEBJBUPXTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-11(18)7-16(8-1-3-14-5-8)12(19)9-2-4-15-6-10(9)17/h2,4,6,8,14,17H,1,3,5,7H2,(H2,13,18).
What are the key properties of N-(2-amino-2-oxoethyl)-3-hydroxy-N-pyrrolidin-3-ylpyridine-4-carboxamide?
N-(2-amino-2-oxoethyl)-3-hydroxy-N-pyrrolidin-3-ylpyridine-4-carboxamide has a molecular weight of 264.28 g/mol, XLogP of -0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-hydroxy-N-pyrrolidin-3-ylpyridine-4-carboxamide is sourced from PubChem (CID 81445402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).