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

C16H12ClN3O2 — CID 6622980

IUPACN-[(3-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1cnc2ccccn2c1=O
InChIInChI=1S/C16H12ClN3O2/c17-12-5-3-4-11(8-12)9-19-15(21)13-10-18-14-6-1-2-7-20(14)16(13)22/h1-8,10H,9H2,(H,19,21)
InChIKeyTWELEZRWVIJAHJ-UHFFFAOYSA-N
MW313.74 g/mol
LogP2.28
Rot. Bonds3

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

N-[(3-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 6622980) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID6622980
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC NameN-[(3-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1cnc2ccccn2c1=O
InChIInChI=1S/C16H12ClN3O2/c17-12-5-3-4-11(8-12)9-19-15(21)13-10-18-14-6-1-2-7-20(14)16(13)22/h1-8,10H,9H2,(H,19,21)
InChIKeyTWELEZRWVIJAHJ-UHFFFAOYSA-N
XLogP2.28
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 6622980) is N-[(3-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCc1cccc(Cl)c1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is TWELEZRWVIJAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-12-5-3-4-11(8-12)9-19-15(21)13-10-18-14-6-1-2-7-20(14)16(13)22/h1-8,10H,9H2,(H,19,21).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 313.74 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 6622980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).