N-(2-aminoethyl)-1-methyl-6-oxopyridine-3-carboxamide

C9H13N3O2 — CID 126810764

IUPACN-(2-aminoethyl)-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)NCCN)ccc1=O
InChIInChI=1S/C9H13N3O2/c1-12-6-7(2-3-8(12)13)9(14)11-5-4-10/h2-3,6H,4-5,10H2,1H3,(H,11,14)
InChIKeyMBASUXNNJWJUFS-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.93
Rot. Bonds3

About N-(2-aminoethyl)-1-methyl-6-oxopyridine-3-carboxamide

N-(2-aminoethyl)-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 126810764) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID126810764
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-(2-aminoethyl)-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)NCCN)ccc1=O
InChIInChI=1S/C9H13N3O2/c1-12-6-7(2-3-8(12)13)9(14)11-5-4-10/h2-3,6H,4-5,10H2,1H3,(H,11,14)
InChIKeyMBASUXNNJWJUFS-UHFFFAOYSA-N
XLogP-0.93
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-methyl-6-oxopyridine-3-carboxamide (CID 126810764) is N-(2-aminoethyl)-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-methyl-6-oxopyridine-3-carboxamide is Cn1cc(C(=O)NCCN)ccc1=O.
What is the InChIKey of N-(2-aminoethyl)-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is MBASUXNNJWJUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12-6-7(2-3-8(12)13)9(14)11-5-4-10/h2-3,6H,4-5,10H2,1H3,(H,11,14).
What are the key properties of N-(2-aminoethyl)-1-methyl-6-oxopyridine-3-carboxamide?
N-(2-aminoethyl)-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 195.22 g/mol, XLogP of -0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 126810764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).