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

C16H19N3O2 — CID 3079285

IUPACN-cyclohexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)NC3CCCCC3)c(=O)n12
InChIInChI=1S/C16H19N3O2/c1-11-6-5-9-14-17-10-13(16(21)19(11)14)15(20)18-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyVOWAKWKKYNYQCV-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.07
Rot. Bonds2

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

N-cyclohexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 3079285) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-cyclohexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID3079285
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-cyclohexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)NC3CCCCC3)c(=O)n12
InChIInChI=1S/C16H19N3O2/c1-11-6-5-9-14-17-10-13(16(21)19(11)14)15(20)18-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyVOWAKWKKYNYQCV-UHFFFAOYSA-N
XLogP2.07
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 3079285) is N-cyclohexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccc2ncc(C(=O)NC3CCCCC3)c(=O)n12.
What is the InChIKey of N-cyclohexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is VOWAKWKKYNYQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-6-5-9-14-17-10-13(16(21)19(11)14)15(20)18-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,18,20).
What are the key properties of N-cyclohexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-cyclohexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3079285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).