N-cyclohexyl-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C16H19N3O3 — CID 135680959

IUPACN-cyclohexyl-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NC3CCCCC3)c(O)nc12
InChIInChI=1S/C16H19N3O3/c1-10-6-5-9-19-13(10)18-15(21)12(16(19)22)14(20)17-11-7-3-2-4-8-11/h5-6,9,11,21H,2-4,7-8H2,1H3,(H,17,20)
InChIKeyFAPJRGDPTWVTTN-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.77
Rot. Bonds2

About N-cyclohexyl-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-cyclohexyl-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135680959) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-cyclohexyl-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135680959
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-cyclohexyl-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NC3CCCCC3)c(O)nc12
InChIInChI=1S/C16H19N3O3/c1-10-6-5-9-19-13(10)18-15(21)12(16(19)22)14(20)17-11-7-3-2-4-8-11/h5-6,9,11,21H,2-4,7-8H2,1H3,(H,17,20)
InChIKeyFAPJRGDPTWVTTN-UHFFFAOYSA-N
XLogP1.77
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135680959) is N-cyclohexyl-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccn2c(=O)c(C(=O)NC3CCCCC3)c(O)nc12.
What is the InChIKey of N-cyclohexyl-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is FAPJRGDPTWVTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-6-5-9-19-13(10)18-15(21)12(16(19)22)14(20)17-11-7-3-2-4-8-11/h5-6,9,11,21H,2-4,7-8H2,1H3,(H,17,20).
What are the key properties of N-cyclohexyl-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-cyclohexyl-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135680959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).