N-ethoxy-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide

C13H15N5O2 — CID 175745710

IUPACN-ethoxy-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide
SMILESCCONC(=O)c1ccc(Nc2ccnc(C)n2)nc1
InChIInChI=1S/C13H15N5O2/c1-3-20-18-13(19)10-4-5-11(15-8-10)17-12-6-7-14-9(2)16-12/h4-8H,3H2,1-2H3,(H,18,19)(H,14,15,16,17)
InChIKeyWWJLANIDSXSZNA-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.60
Rot. Bonds5

About N-ethoxy-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide

N-ethoxy-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide (PubChem CID 175745710) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-ethoxy-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethoxy-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide
PubChem CID175745710
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-ethoxy-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide
SMILESCCONC(=O)c1ccc(Nc2ccnc(C)n2)nc1
InChIInChI=1S/C13H15N5O2/c1-3-20-18-13(19)10-4-5-11(15-8-10)17-12-6-7-14-9(2)16-12/h4-8H,3H2,1-2H3,(H,18,19)(H,14,15,16,17)
InChIKeyWWJLANIDSXSZNA-UHFFFAOYSA-N
XLogP1.60
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide?
The IUPAC name of N-ethoxy-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide (CID 175745710) is N-ethoxy-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-ethoxy-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-ethoxy-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide is CCONC(=O)c1ccc(Nc2ccnc(C)n2)nc1.
What is the InChIKey of N-ethoxy-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide?
The InChIKey is WWJLANIDSXSZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-3-20-18-13(19)10-4-5-11(15-8-10)17-12-6-7-14-9(2)16-12/h4-8H,3H2,1-2H3,(H,18,19)(H,14,15,16,17).
What are the key properties of N-ethoxy-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide?
N-ethoxy-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 175745710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).