4H-pyrido[1,2-a]pyrimidine-2-carboxamide

C9H9N3O — CID 67198399

IUPAC4H-pyrido[1,2-a]pyrimidine-2-carboxamide
SMILESNC(=O)C1=CCN2C=CC=CC2=N1
InChIInChI=1S/C9H9N3O/c10-9(13)7-4-6-12-5-2-1-3-8(12)11-7/h1-5H,6H2,(H2,10,13)
InChIKeyAZQUAIDLKSFERN-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.15
Rot. Bonds1

About 4H-pyrido[1,2-a]pyrimidine-2-carboxamide

4H-pyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 67198399) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 4H-pyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4H-pyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID67198399
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name4H-pyrido[1,2-a]pyrimidine-2-carboxamide
SMILESNC(=O)C1=CCN2C=CC=CC2=N1
InChIInChI=1S/C9H9N3O/c10-9(13)7-4-6-12-5-2-1-3-8(12)11-7/h1-5H,6H2,(H2,10,13)
InChIKeyAZQUAIDLKSFERN-UHFFFAOYSA-N
XLogP0.15
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4H-pyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 4H-pyrido[1,2-a]pyrimidine-2-carboxamide (CID 67198399) is 4H-pyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 4H-pyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 4H-pyrido[1,2-a]pyrimidine-2-carboxamide is NC(=O)C1=CCN2C=CC=CC2=N1.
What is the InChIKey of 4H-pyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is AZQUAIDLKSFERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-9(13)7-4-6-12-5-2-1-3-8(12)11-7/h1-5H,6H2,(H2,10,13).
What are the key properties of 4H-pyrido[1,2-a]pyrimidine-2-carboxamide?
4H-pyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 175.19 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 67198399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).