N-(4-cyano-1-phenylpyrazol-5-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C20H16N6O2 — CID 108800939

IUPACN-(4-cyano-1-phenylpyrazol-5-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1(C(=O)Nc2c(C#N)cnn2-c2ccccc2)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C20H16N6O2/c1-20(11-17(27)23-16-9-5-6-10-25(16)20)19(28)24-18-14(12-21)13-22-26(18)15-7-3-2-4-8-15/h2-10,13H,11H2,1H3,(H,24,28)
InChIKeyKJNZVAONFDBZIR-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.16
Rot. Bonds3

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

N-(4-cyano-1-phenylpyrazol-5-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 108800939) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is N-(4-cyano-1-phenylpyrazol-5-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1-phenylpyrazol-5-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID108800939
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC NameN-(4-cyano-1-phenylpyrazol-5-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1(C(=O)Nc2c(C#N)cnn2-c2ccccc2)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C20H16N6O2/c1-20(11-17(27)23-16-9-5-6-10-25(16)20)19(28)24-18-14(12-21)13-22-26(18)15-7-3-2-4-8-15/h2-10,13H,11H2,1H3,(H,24,28)
InChIKeyKJNZVAONFDBZIR-UHFFFAOYSA-N
XLogP2.16
TPSA103.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 108800939) is N-(4-cyano-1-phenylpyrazol-5-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-cyano-1-phenylpyrazol-5-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-cyano-1-phenylpyrazol-5-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is CC1(C(=O)Nc2c(C#N)cnn2-c2ccccc2)CC(=O)N=C2C=CC=CN21.
What is the InChIKey of N-(4-cyano-1-phenylpyrazol-5-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is KJNZVAONFDBZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c1-20(11-17(27)23-16-9-5-6-10-25(16)20)19(28)24-18-14(12-21)13-22-26(18)15-7-3-2-4-8-15/h2-10,13H,11H2,1H3,(H,24,28).
What are the key properties of N-(4-cyano-1-phenylpyrazol-5-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
N-(4-cyano-1-phenylpyrazol-5-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-phenylpyrazol-5-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 108800939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).