6-[(2,2-dimethyloxan-4-yl)amino]pyridine-3-carboxamide

C13H19N3O2 — CID 113336597

IUPAC6-[(2,2-dimethyloxan-4-yl)amino]pyridine-3-carboxamide
SMILESCC1(C)CC(Nc2ccc(C(N)=O)cn2)CCO1
InChIInChI=1S/C13H19N3O2/c1-13(2)7-10(5-6-18-13)16-11-4-3-9(8-15-11)12(14)17/h3-4,8,10H,5-7H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyGNGUJSSLFSCFSS-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.55
Rot. Bonds3

About 6-[(2,2-dimethyloxan-4-yl)amino]pyridine-3-carboxamide

6-[(2,2-dimethyloxan-4-yl)amino]pyridine-3-carboxamide (PubChem CID 113336597) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-[(2,2-dimethyloxan-4-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2,2-dimethyloxan-4-yl)amino]pyridine-3-carboxamide
PubChem CID113336597
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name6-[(2,2-dimethyloxan-4-yl)amino]pyridine-3-carboxamide
SMILESCC1(C)CC(Nc2ccc(C(N)=O)cn2)CCO1
InChIInChI=1S/C13H19N3O2/c1-13(2)7-10(5-6-18-13)16-11-4-3-9(8-15-11)12(14)17/h3-4,8,10H,5-7H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyGNGUJSSLFSCFSS-UHFFFAOYSA-N
XLogP1.55
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cyclopentylamino)pyridine-3-carboxamide
CID 112722808
N-(2,2-dimethyloxan-4-yl)-5-nitropyridin-2-amine
CID 113336591
2-N-(2,2-dimethyloxan-4-yl)pyrazine-2,5-diamine
CID 83040320
6-(cyclohexylamino)pyridine-3-carboxamide;hydrochloride
CID 3031414
1-[4-[(2,2-dimethyloxan-4-yl)amino]phenyl]ethanone
CID 114468372
5-chloro-2-[(2,2-dimethyloxan-4-yl)amino]pyridine-4-carboxylic acid
CID 114919895
6-[(4-aminocyclohexyl)amino]pyridine-3-carboxamide
CID 58337929
2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyridine-4-carbothioamide
CID 114767900
4-N-(2,2-dimethyloxan-4-yl)pyrimidine-2,4-diamine
CID 83040106
5-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carboxylic acid
CID 83040507
6-[[4-(aminomethyl)cyclohexyl]amino]pyridine-3-carboxamide
CID 112753159
6-N-(2,2-dimethyloxan-4-yl)pyridine-2,6-diamine
CID 83040213

Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-dimethyloxan-4-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-[(2,2-dimethyloxan-4-yl)amino]pyridine-3-carboxamide (CID 113336597) is 6-[(2,2-dimethyloxan-4-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2,2-dimethyloxan-4-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[(2,2-dimethyloxan-4-yl)amino]pyridine-3-carboxamide is CC1(C)CC(Nc2ccc(C(N)=O)cn2)CCO1.
What is the InChIKey of 6-[(2,2-dimethyloxan-4-yl)amino]pyridine-3-carboxamide?
The InChIKey is GNGUJSSLFSCFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(2)7-10(5-6-18-13)16-11-4-3-9(8-15-11)12(14)17/h3-4,8,10H,5-7H2,1-2H3,(H2,14,17)(H,15,16).
What are the key properties of 6-[(2,2-dimethyloxan-4-yl)amino]pyridine-3-carboxamide?
6-[(2,2-dimethyloxan-4-yl)amino]pyridine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-dimethyloxan-4-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 113336597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).