N-(2-methylpropyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)pyran-3-carboxamide

C15H22N2O3 — CID 106611351

IUPACN-(2-methylpropyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)pyran-3-carboxamide
SMILESCC(C)CN(CC1CCCN1)C(=O)c1ccc(=O)oc1
InChIInChI=1S/C15H22N2O3/c1-11(2)8-17(9-13-4-3-7-16-13)15(19)12-5-6-14(18)20-10-12/h5-6,10-11,13,16H,3-4,7-9H2,1-2H3
InChIKeyADSRGWAPBFAZRV-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.49
Rot. Bonds5

About N-(2-methylpropyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)pyran-3-carboxamide

N-(2-methylpropyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)pyran-3-carboxamide (PubChem CID 106611351) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(2-methylpropyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)pyran-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)pyran-3-carboxamide
PubChem CID106611351
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(2-methylpropyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)pyran-3-carboxamide
SMILESCC(C)CN(CC1CCCN1)C(=O)c1ccc(=O)oc1
InChIInChI=1S/C15H22N2O3/c1-11(2)8-17(9-13-4-3-7-16-13)15(19)12-5-6-14(18)20-10-12/h5-6,10-11,13,16H,3-4,7-9H2,1-2H3
InChIKeyADSRGWAPBFAZRV-UHFFFAOYSA-N
XLogP1.49
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)pyran-3-carboxamide
CID 106613006
3,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611087
N-cyclopropyl-6-oxo-N-(piperidin-2-ylmethyl)pyran-3-carboxamide
CID 106627073
4-fluoro-3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611187
2,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611361
5-ethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106610975
2-[2-methylpropyl-(6-oxopyran-3-carbonyl)amino]acetic acid
CID 55147819
1,5-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 106611340
2,3-difluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611182
4-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
CID 106610939
3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106611115
5-bromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106611118

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)pyran-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)pyran-3-carboxamide (CID 106611351) is N-(2-methylpropyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)pyran-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)pyran-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)pyran-3-carboxamide is CC(C)CN(CC1CCCN1)C(=O)c1ccc(=O)oc1.
What is the InChIKey of N-(2-methylpropyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)pyran-3-carboxamide?
The InChIKey is ADSRGWAPBFAZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)8-17(9-13-4-3-7-16-13)15(19)12-5-6-14(18)20-10-12/h5-6,10-11,13,16H,3-4,7-9H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)pyran-3-carboxamide?
N-(2-methylpropyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)pyran-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)pyran-3-carboxamide is sourced from PubChem (CID 106611351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).