N-(3,5-dichloro-4-hydroxyphenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C16H13Cl2N3O3 — CID 108801061

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C16H13Cl2N3O3/c1-16(8-13(22)20-12-4-2-3-5-21(12)16)15(24)19-9-6-10(17)14(23)11(18)7-9/h2-7,23H,8H2,1H3,(H,19,24)
InChIKeyFYCQGIPHVPWMNX-UHFFFAOYSA-N
MW366.20 g/mol
LogP3.11
Rot. Bonds2

About N-(3,5-dichloro-4-hydroxyphenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

N-(3,5-dichloro-4-hydroxyphenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 108801061) has the molecular formula C16H13Cl2N3O3 and a molecular weight of 366.20 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID108801061
Molecular FormulaC16H13Cl2N3O3
Molecular Weight366.20 g/mol
Exact Mass365.03
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C16H13Cl2N3O3/c1-16(8-13(22)20-12-4-2-3-5-21(12)16)15(24)19-9-6-10(17)14(23)11(18)7-9/h2-7,23H,8H2,1H3,(H,19,24)
InChIKeyFYCQGIPHVPWMNX-UHFFFAOYSA-N
XLogP3.11
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 108801061) is N-(3,5-dichloro-4-hydroxyphenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is CC1(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CC(=O)N=C2C=CC=CN21.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is FYCQGIPHVPWMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O3/c1-16(8-13(22)20-12-4-2-3-5-21(12)16)15(24)19-9-6-10(17)14(23)11(18)7-9/h2-7,23H,8H2,1H3,(H,19,24).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
N-(3,5-dichloro-4-hydroxyphenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 366.20 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-hydroxyphenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 108801061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).