2-[azetidin-3-yl(ethyl)amino]-6-methylpyridine-3-carboxamide

C12H18N4O — CID 66183702

IUPAC2-[azetidin-3-yl(ethyl)amino]-6-methylpyridine-3-carboxamide
SMILESCCN(c1nc(C)ccc1C(N)=O)C1CNC1
InChIInChI=1S/C12H18N4O/c1-3-16(9-6-14-7-9)12-10(11(13)17)5-4-8(2)15-12/h4-5,9,14H,3,6-7H2,1-2H3,(H2,13,17)
InChIKeyGEYUJANHQJGTIF-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.29
Rot. Bonds4

About 2-[azetidin-3-yl(ethyl)amino]-6-methylpyridine-3-carboxamide

2-[azetidin-3-yl(ethyl)amino]-6-methylpyridine-3-carboxamide (PubChem CID 66183702) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[azetidin-3-yl(ethyl)amino]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[azetidin-3-yl(ethyl)amino]-6-methylpyridine-3-carboxamide
PubChem CID66183702
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-[azetidin-3-yl(ethyl)amino]-6-methylpyridine-3-carboxamide
SMILESCCN(c1nc(C)ccc1C(N)=O)C1CNC1
InChIInChI=1S/C12H18N4O/c1-3-16(9-6-14-7-9)12-10(11(13)17)5-4-8(2)15-12/h4-5,9,14H,3,6-7H2,1-2H3,(H2,13,17)
InChIKeyGEYUJANHQJGTIF-UHFFFAOYSA-N
XLogP0.29
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(ethyl)amino]-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-[azetidin-3-yl(ethyl)amino]-6-methylpyridine-3-carboxamide (CID 66183702) is 2-[azetidin-3-yl(ethyl)amino]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[azetidin-3-yl(ethyl)amino]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[azetidin-3-yl(ethyl)amino]-6-methylpyridine-3-carboxamide is CCN(c1nc(C)ccc1C(N)=O)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(ethyl)amino]-6-methylpyridine-3-carboxamide?
The InChIKey is GEYUJANHQJGTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-3-16(9-6-14-7-9)12-10(11(13)17)5-4-8(2)15-12/h4-5,9,14H,3,6-7H2,1-2H3,(H2,13,17).
What are the key properties of 2-[azetidin-3-yl(ethyl)amino]-6-methylpyridine-3-carboxamide?
2-[azetidin-3-yl(ethyl)amino]-6-methylpyridine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(ethyl)amino]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 66183702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).