8-methyl-4-oxo-N,N-bis(prop-2-enyl)pyrido[1,2-a]pyrimidine-3-carboxamide

C16H17N3O2 — CID 60548090

IUPAC8-methyl-4-oxo-N,N-bis(prop-2-enyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESC=CCN(CC=C)C(=O)c1cnc2cc(C)ccn2c1=O
InChIInChI=1S/C16H17N3O2/c1-4-7-18(8-5-2)15(20)13-11-17-14-10-12(3)6-9-19(14)16(13)21/h4-6,9-11H,1-2,7-8H2,3H3
InChIKeyMYFUYUWICXKORF-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.82
Rot. Bonds5

About 8-methyl-4-oxo-N,N-bis(prop-2-enyl)pyrido[1,2-a]pyrimidine-3-carboxamide

8-methyl-4-oxo-N,N-bis(prop-2-enyl)pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 60548090) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 8-methyl-4-oxo-N,N-bis(prop-2-enyl)pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name8-methyl-4-oxo-N,N-bis(prop-2-enyl)pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID60548090
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name8-methyl-4-oxo-N,N-bis(prop-2-enyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESC=CCN(CC=C)C(=O)c1cnc2cc(C)ccn2c1=O
InChIInChI=1S/C16H17N3O2/c1-4-7-18(8-5-2)15(20)13-11-17-14-10-12(3)6-9-19(14)16(13)21/h4-6,9-11H,1-2,7-8H2,3H3
InChIKeyMYFUYUWICXKORF-UHFFFAOYSA-N
XLogP1.82
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-oxo-N,N-bis(prop-2-enyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 8-methyl-4-oxo-N,N-bis(prop-2-enyl)pyrido[1,2-a]pyrimidine-3-carboxamide (CID 60548090) is 8-methyl-4-oxo-N,N-bis(prop-2-enyl)pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 8-methyl-4-oxo-N,N-bis(prop-2-enyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 8-methyl-4-oxo-N,N-bis(prop-2-enyl)pyrido[1,2-a]pyrimidine-3-carboxamide is C=CCN(CC=C)C(=O)c1cnc2cc(C)ccn2c1=O.
What is the InChIKey of 8-methyl-4-oxo-N,N-bis(prop-2-enyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is MYFUYUWICXKORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-4-7-18(8-5-2)15(20)13-11-17-14-10-12(3)6-9-19(14)16(13)21/h4-6,9-11H,1-2,7-8H2,3H3.
What are the key properties of 8-methyl-4-oxo-N,N-bis(prop-2-enyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
8-methyl-4-oxo-N,N-bis(prop-2-enyl)pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-oxo-N,N-bis(prop-2-enyl)pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 60548090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).