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

C13H18N4O3 — CID 81445654

IUPACN-(2-amino-2-oxoethyl)-3-hydroxy-N-piperidin-3-ylpyridine-4-carboxamide
SMILESNC(=O)CN(C(=O)c1ccncc1O)C1CCCNC1
InChIInChI=1S/C13H18N4O3/c14-12(19)8-17(9-2-1-4-15-6-9)13(20)10-3-5-16-7-11(10)18/h3,5,7,9,15,18H,1-2,4,6,8H2,(H2,14,19)
InChIKeyFIRRHTDOQWSKFJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.53
Rot. Bonds4

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

N-(2-amino-2-oxoethyl)-3-hydroxy-N-piperidin-3-ylpyridine-4-carboxamide (PubChem CID 81445654) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-hydroxy-N-piperidin-3-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-hydroxy-N-piperidin-3-ylpyridine-4-carboxamide
PubChem CID81445654
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-(2-amino-2-oxoethyl)-3-hydroxy-N-piperidin-3-ylpyridine-4-carboxamide
SMILESNC(=O)CN(C(=O)c1ccncc1O)C1CCCNC1
InChIInChI=1S/C13H18N4O3/c14-12(19)8-17(9-2-1-4-15-6-9)13(20)10-3-5-16-7-11(10)18/h3,5,7,9,15,18H,1-2,4,6,8H2,(H2,14,19)
InChIKeyFIRRHTDOQWSKFJ-UHFFFAOYSA-N
XLogP-0.53
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-hydroxy-N-piperidin-3-ylpyridine-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-hydroxy-N-piperidin-3-ylpyridine-4-carboxamide (CID 81445654) is N-(2-amino-2-oxoethyl)-3-hydroxy-N-piperidin-3-ylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-hydroxy-N-piperidin-3-ylpyridine-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-hydroxy-N-piperidin-3-ylpyridine-4-carboxamide is NC(=O)CN(C(=O)c1ccncc1O)C1CCCNC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-hydroxy-N-piperidin-3-ylpyridine-4-carboxamide?
The InChIKey is FIRRHTDOQWSKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c14-12(19)8-17(9-2-1-4-15-6-9)13(20)10-3-5-16-7-11(10)18/h3,5,7,9,15,18H,1-2,4,6,8H2,(H2,14,19).
What are the key properties of N-(2-amino-2-oxoethyl)-3-hydroxy-N-piperidin-3-ylpyridine-4-carboxamide?
N-(2-amino-2-oxoethyl)-3-hydroxy-N-piperidin-3-ylpyridine-4-carboxamide has a molecular weight of 278.31 g/mol, XLogP of -0.53, 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-piperidin-3-ylpyridine-4-carboxamide is sourced from PubChem (CID 81445654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).