1-ethyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide

C16H17N5O2 — CID 136555214

IUPAC1-ethyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2cc(=O)n3ccccc3n2)c(C)n1
InChIInChI=1S/C16H17N5O2/c1-3-20-10-13(11(2)19-20)16(23)17-9-12-8-15(22)21-7-5-4-6-14(21)18-12/h4-8,10H,3,9H2,1-2H3,(H,17,23)
InChIKeyHXNJBXPCSBFJPU-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.15
Rot. Bonds4

About 1-ethyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide

1-ethyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 136555214) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide
PubChem CID136555214
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name1-ethyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2cc(=O)n3ccccc3n2)c(C)n1
InChIInChI=1S/C16H17N5O2/c1-3-20-10-13(11(2)19-20)16(23)17-9-12-8-15(22)21-7-5-4-6-14(21)18-12/h4-8,10H,3,9H2,1-2H3,(H,17,23)
InChIKeyHXNJBXPCSBFJPU-UHFFFAOYSA-N
XLogP1.15
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide (CID 136555214) is 1-ethyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide is CCn1cc(C(=O)NCc2cc(=O)n3ccccc3n2)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is HXNJBXPCSBFJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-3-20-10-13(11(2)19-20)16(23)17-9-12-8-15(22)21-7-5-4-6-14(21)18-12/h4-8,10H,3,9H2,1-2H3,(H,17,23).
What are the key properties of 1-ethyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide?
1-ethyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 136555214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).