2-amino-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide

C12H17N3O2 — CID 82743180

IUPAC2-amino-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
SMILESCC1OCCC1N(C)C(=O)c1ccnc(N)c1
InChIInChI=1S/C12H17N3O2/c1-8-10(4-6-17-8)15(2)12(16)9-3-5-14-11(13)7-9/h3,5,7-8,10H,4,6H2,1-2H3,(H2,13,14)
InChIKeyGHCHWAVWEAONIM-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.91
Rot. Bonds2

About 2-amino-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide

2-amino-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide (PubChem CID 82743180) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
PubChem CID82743180
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-amino-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
SMILESCC1OCCC1N(C)C(=O)c1ccnc(N)c1
InChIInChI=1S/C12H17N3O2/c1-8-10(4-6-17-8)15(2)12(16)9-3-5-14-11(13)7-9/h3,5,7-8,10H,4,6H2,1-2H3,(H2,13,14)
InChIKeyGHCHWAVWEAONIM-UHFFFAOYSA-N
XLogP0.91
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
CID 114194006
5,6-dichloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
CID 82734080
3-bromo-4-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 114025919
3-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82741453
2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82742095
5-amino-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82741761
3-fluoro-N-methyl-2-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
CID 105387115
N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-carboxamide
CID 82744433
5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide
CID 82738552
N,3-dimethyl-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide
CID 82734789
4-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 114244438
2-chloro-N-methyl-6-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
CID 82743811

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide (CID 82743180) is 2-amino-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide is CC1OCCC1N(C)C(=O)c1ccnc(N)c1.
What is the InChIKey of 2-amino-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide?
The InChIKey is GHCHWAVWEAONIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-10(4-6-17-8)15(2)12(16)9-3-5-14-11(13)7-9/h3,5,7-8,10H,4,6H2,1-2H3,(H2,13,14).
What are the key properties of 2-amino-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide?
2-amino-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 82743180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).