N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C22H21N5O3 — CID 108800983

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCc1cc(C)nc(Oc2ccc(NC(=O)C3(C)CC(=O)N=C4C=CC=CN43)cc2)n1
InChIInChI=1S/C22H21N5O3/c1-14-12-15(2)24-21(23-14)30-17-9-7-16(8-10-17)25-20(29)22(3)13-19(28)26-18-6-4-5-11-27(18)22/h4-12H,13H2,1-3H3,(H,25,29)
InChIKeyCKHGQPJELAYXHH-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.30
Rot. Bonds4

About N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 108800983) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID108800983
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCc1cc(C)nc(Oc2ccc(NC(=O)C3(C)CC(=O)N=C4C=CC=CN43)cc2)n1
InChIInChI=1S/C22H21N5O3/c1-14-12-15(2)24-21(23-14)30-17-9-7-16(8-10-17)25-20(29)22(3)13-19(28)26-18-6-4-5-11-27(18)22/h4-12H,13H2,1-3H3,(H,25,29)
InChIKeyCKHGQPJELAYXHH-UHFFFAOYSA-N
XLogP3.30
TPSA96.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 108800983) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is Cc1cc(C)nc(Oc2ccc(NC(=O)C3(C)CC(=O)N=C4C=CC=CN43)cc2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is CKHGQPJELAYXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-14-12-15(2)24-21(23-14)30-17-9-7-16(8-10-17)25-20(29)22(3)13-19(28)26-18-6-4-5-11-27(18)22/h4-12H,13H2,1-3H3,(H,25,29).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 108800983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).