N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

C17H13Cl2N3O3 — CID 57494491

IUPACN-[(3,4-dichlorophenyl)methyl]-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCc1ccc2nc(C(=O)NCc3ccc(Cl)c(Cl)c3)c(O)c(=O)n2c1
InChIInChI=1S/C17H13Cl2N3O3/c1-9-2-5-13-21-14(15(23)17(25)22(13)8-9)16(24)20-7-10-3-4-11(18)12(19)6-10/h2-6,8,23H,7H2,1H3,(H,20,24)
InChIKeyFIHOASALOSTXBM-UHFFFAOYSA-N
MW378.22 g/mol
LogP2.95
Rot. Bonds3

About N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 57494491) has the molecular formula C17H13Cl2N3O3 and a molecular weight of 378.22 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID57494491
Molecular FormulaC17H13Cl2N3O3
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCc1ccc2nc(C(=O)NCc3ccc(Cl)c(Cl)c3)c(O)c(=O)n2c1
InChIInChI=1S/C17H13Cl2N3O3/c1-9-2-5-13-21-14(15(23)17(25)22(13)8-9)16(24)20-7-10-3-4-11(18)12(19)6-10/h2-6,8,23H,7H2,1H3,(H,20,24)
InChIKeyFIHOASALOSTXBM-UHFFFAOYSA-N
XLogP2.95
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (CID 57494491) is N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is Cc1ccc2nc(C(=O)NCc3ccc(Cl)c(Cl)c3)c(O)c(=O)n2c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is FIHOASALOSTXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O3/c1-9-2-5-13-21-14(15(23)17(25)22(13)8-9)16(24)20-7-10-3-4-11(18)12(19)6-10/h2-6,8,23H,7H2,1H3,(H,20,24).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 378.22 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 57494491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).