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

C17H23N3O3 — CID 109380801

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H23N3O3/c1-11(2)14(21)17(3,4)10-19-15(22)12-9-18-13-7-5-6-8-20(13)16(12)23/h5-9,11,14,21H,10H2,1-4H3,(H,19,22)
InChIKeyRUBXOEQUDVBESY-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.47
Rot. Bonds5

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

N-(3-hydroxy-2,2,4-trimethylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 109380801) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID109380801
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H23N3O3/c1-11(2)14(21)17(3,4)10-19-15(22)12-9-18-13-7-5-6-8-20(13)16(12)23/h5-9,11,14,21H,10H2,1-4H3,(H,19,22)
InChIKeyRUBXOEQUDVBESY-UHFFFAOYSA-N
XLogP1.47
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 61245333
N-(2-cyclopropyl-2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 63295300
N-(3-hydroxybutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 64458520
N-(3-hydroxy-2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 65031816
N-[(2-hydroxycyclopentyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 65833603
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 65995539
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-(2-ethyl-4-hydroxybutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 80304073
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 80711311
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

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 109380801) is N-(3-hydroxy-2,2,4-trimethylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(C)C(O)C(C)(C)CNC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is RUBXOEQUDVBESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11(2)14(21)17(3,4)10-19-15(22)12-9-18-13-7-5-6-8-20(13)16(12)23/h5-9,11,14,21H,10H2,1-4H3,(H,19,22).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.47, 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)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 109380801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).