N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

C17H22N4O3 — CID 71940769

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)c(CNC(=O)N2CCCC2c2cc(C)on2)c(=O)[nH]1
InChIInChI=1S/C17H22N4O3/c1-10-7-11(2)19-16(22)13(10)9-18-17(23)21-6-4-5-15(21)14-8-12(3)24-20-14/h7-8,15H,4-6,9H2,1-3H3,(H,18,23)(H,19,22)
InChIKeyNJCBVCXCBDRUHR-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.33
Rot. Bonds3

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 71940769) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID71940769
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)c(CNC(=O)N2CCCC2c2cc(C)on2)c(=O)[nH]1
InChIInChI=1S/C17H22N4O3/c1-10-7-11(2)19-16(22)13(10)9-18-17(23)21-6-4-5-15(21)14-8-12(3)24-20-14/h7-8,15H,4-6,9H2,1-3H3,(H,18,23)(H,19,22)
InChIKeyNJCBVCXCBDRUHR-UHFFFAOYSA-N
XLogP2.33
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (CID 71940769) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is Cc1cc(C)c(CNC(=O)N2CCCC2c2cc(C)on2)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is NJCBVCXCBDRUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-10-7-11(2)19-16(22)13(10)9-18-17(23)21-6-4-5-15(21)14-8-12(3)24-20-14/h7-8,15H,4-6,9H2,1-3H3,(H,18,23)(H,19,22).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71940769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).