4,5-diamino-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-2-carboxamide

C12H19N5O3 — CID 70924761

IUPAC4,5-diamino-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-2-carboxamide
SMILESNc1cc(C(=O)NCCN2CCOCC2)[nH]c(=O)c1N
InChIInChI=1S/C12H19N5O3/c13-8-7-9(16-12(19)10(8)14)11(18)15-1-2-17-3-5-20-6-4-17/h7H,1-6,14H2,(H,15,18)(H3,13,16,19)
InChIKeyNIRBCFJGMNVFQL-UHFFFAOYSA-N
MW281.32 g/mol
LogP-1.40
Rot. Bonds4

About 4,5-diamino-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-2-carboxamide

4,5-diamino-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 70924761) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4,5-diamino-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name4,5-diamino-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-2-carboxamide
PubChem CID70924761
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name4,5-diamino-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-2-carboxamide
SMILESNc1cc(C(=O)NCCN2CCOCC2)[nH]c(=O)c1N
InChIInChI=1S/C12H19N5O3/c13-8-7-9(16-12(19)10(8)14)11(18)15-1-2-17-3-5-20-6-4-17/h7H,1-6,14H2,(H,15,18)(H3,13,16,19)
InChIKeyNIRBCFJGMNVFQL-UHFFFAOYSA-N
XLogP-1.40
TPSA126.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of 4,5-diamino-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-2-carboxamide (CID 70924761) is 4,5-diamino-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for 4,5-diamino-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for 4,5-diamino-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-2-carboxamide is Nc1cc(C(=O)NCCN2CCOCC2)[nH]c(=O)c1N.
What is the InChIKey of 4,5-diamino-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is NIRBCFJGMNVFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c13-8-7-9(16-12(19)10(8)14)11(18)15-1-2-17-3-5-20-6-4-17/h7H,1-6,14H2,(H,15,18)(H3,13,16,19).
What are the key properties of 4,5-diamino-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-2-carboxamide?
4,5-diamino-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 281.32 g/mol, XLogP of -1.40, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 70924761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).