N-methyl-4-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide

C16H17N5O3 — CID 70772816

IUPACN-methyl-4-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)c1nc(CN(C)C(=O)c2cnc3ccccn3c2=O)no1
InChIInChI=1S/C16H17N5O3/c1-10(2)14-18-12(19-24-14)9-20(3)15(22)11-8-17-13-6-4-5-7-21(13)16(11)23/h4-8,10H,9H2,1-3H3
InChIKeyHBRDSEVDEGVTJT-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.47
Rot. Bonds4

About N-methyl-4-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide

N-methyl-4-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 70772816) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-methyl-4-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID70772816
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC NameN-methyl-4-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)c1nc(CN(C)C(=O)c2cnc3ccccn3c2=O)no1
InChIInChI=1S/C16H17N5O3/c1-10(2)14-18-12(19-24-14)9-20(3)15(22)11-8-17-13-6-4-5-7-21(13)16(11)23/h4-8,10H,9H2,1-3H3
InChIKeyHBRDSEVDEGVTJT-UHFFFAOYSA-N
XLogP1.47
TPSA93.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-methyl-4-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide (CID 70772816) is N-methyl-4-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-methyl-4-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-methyl-4-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide is CC(C)c1nc(CN(C)C(=O)c2cnc3ccccn3c2=O)no1.
What is the InChIKey of N-methyl-4-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is HBRDSEVDEGVTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-10(2)14-18-12(19-24-14)9-20(3)15(22)11-8-17-13-6-4-5-7-21(13)16(11)23/h4-8,10H,9H2,1-3H3.
What are the key properties of N-methyl-4-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
N-methyl-4-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70772816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).