N-(3-hydroxy-2,2,4-trimethylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C18H25N3O3 — CID 109381298

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NCC(C)(C)C(O)C(C)C)cnc2c1
InChIInChI=1S/C18H25N3O3/c1-11(2)15(22)18(4,5)10-20-16(23)13-9-19-14-8-12(3)6-7-21(14)17(13)24/h6-9,11,15,22H,10H2,1-5H3,(H,20,23)
InChIKeyVUXJPQZXKKVVNH-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.78
Rot. Bonds5

About N-(3-hydroxy-2,2,4-trimethylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(3-hydroxy-2,2,4-trimethylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 109381298) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID109381298
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NCC(C)(C)C(O)C(C)C)cnc2c1
InChIInChI=1S/C18H25N3O3/c1-11(2)15(22)18(4,5)10-20-16(23)13-9-19-14-8-12(3)6-7-21(14)17(13)24/h6-9,11,15,22H,10H2,1-5H3,(H,20,23)
InChIKeyVUXJPQZXKKVVNH-UHFFFAOYSA-N
XLogP1.78
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-hydroxy-2,2,4-trimethylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-(3-hydroxybutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 64458520
N-[(2-hydroxycyclopentyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 65833603
N-[(3-hydroxycyclobutyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 66004533
N-(4-hydroxy-2-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 66109065
N-(3-hydroxy-2,2-dimethylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 81648447
2-[[(3R)-3-hydroxy-4-methylpentyl]amino]pyrido[1,2-a]pyrimidin-4-one
CID 99774674
2-[[(3S)-3-hydroxy-4-methylpentyl]amino]pyrido[1,2-a]pyrimidin-4-one
CID 99774675
2-[(3-Hydroxy-4-methylpentyl)amino]pyrido[1,2-a]pyrimidin-4-one
CID 102554754
N-(1-hydroxy-4-methylpentan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 103750798
N-(2-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 103770787
N-(4-hydroxy-2,2-dimethylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 103772330
N-(5-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 103862119

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 109381298) is N-(3-hydroxy-2,2,4-trimethylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccn2c(=O)c(C(=O)NCC(C)(C)C(O)C(C)C)cnc2c1.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is VUXJPQZXKKVVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-11(2)15(22)18(4,5)10-20-16(23)13-9-19-14-8-12(3)6-7-21(14)17(13)24/h6-9,11,15,22H,10H2,1-5H3,(H,20,23).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 109381298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).