N-[1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]formamide

C9H13N3O3 — CID 18950100

IUPACN-[1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]formamide
SMILESCc1cc(=O)n(CCN)c(O)c1NC=O
InChIInChI=1S/C9H13N3O3/c1-6-4-7(14)12(3-2-10)9(15)8(6)11-5-13/h4-5,15H,2-3,10H2,1H3,(H,11,13)
InChIKeyYFRDHWOZVFTNGW-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.61
Rot. Bonds4

About N-[1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]formamide

N-[1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]formamide (PubChem CID 18950100) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-[1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]formamide.

Molecular Properties

Compound NameN-[1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]formamide
PubChem CID18950100
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-[1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]formamide
SMILESCc1cc(=O)n(CCN)c(O)c1NC=O
InChIInChI=1S/C9H13N3O3/c1-6-4-7(14)12(3-2-10)9(15)8(6)11-5-13/h4-5,15H,2-3,10H2,1H3,(H,11,13)
InChIKeyYFRDHWOZVFTNGW-UHFFFAOYSA-N
XLogP-0.61
TPSA97.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]formamide?
The IUPAC name of N-[1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]formamide (CID 18950100) is N-[1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]formamide.
What is the SMILES notation for N-[1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]formamide?
The canonical SMILES for N-[1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]formamide is Cc1cc(=O)n(CCN)c(O)c1NC=O.
What is the InChIKey of N-[1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]formamide?
The InChIKey is YFRDHWOZVFTNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6-4-7(14)12(3-2-10)9(15)8(6)11-5-13/h4-5,15H,2-3,10H2,1H3,(H,11,13).
What are the key properties of N-[1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]formamide?
N-[1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]formamide has a molecular weight of 211.22 g/mol, XLogP of -0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]formamide is sourced from PubChem (CID 18950100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).