N-tert-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C14H17N3O2 — CID 3079276

IUPACN-tert-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)NC(C)(C)C)c(=O)n12
InChIInChI=1S/C14H17N3O2/c1-9-6-5-7-11-15-8-10(13(19)17(9)11)12(18)16-14(2,3)4/h5-8H,1-4H3,(H,16,18)
InChIKeyTWOQZTKIJXLQEP-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.53
Rot. Bonds1

About N-tert-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-tert-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 3079276) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-tert-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID3079276
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-tert-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)NC(C)(C)C)c(=O)n12
InChIInChI=1S/C14H17N3O2/c1-9-6-5-7-11-15-8-10(13(19)17(9)11)12(18)16-14(2,3)4/h5-8H,1-4H3,(H,16,18)
InChIKeyTWOQZTKIJXLQEP-UHFFFAOYSA-N
XLogP1.53
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-tert-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 3079276) is N-tert-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccc2ncc(C(=O)NC(C)(C)C)c(=O)n12.
What is the InChIKey of N-tert-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is TWOQZTKIJXLQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-6-5-7-11-15-8-10(13(19)17(9)11)12(18)16-14(2,3)4/h5-8H,1-4H3,(H,16,18).
What are the key properties of N-tert-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-tert-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3079276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).