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

C17H23N3O3 — CID 111115865

IUPACN-(3-ethyl-2-hydroxypentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1cnc2cc(C)ccn2c1=O
InChIInChI=1S/C17H23N3O3/c1-4-12(5-2)14(21)10-19-16(22)13-9-18-15-8-11(3)6-7-20(15)17(13)23/h6-9,12,14,21H,4-5,10H2,1-3H3,(H,19,22)
InChIKeyRMHZMDNDPJLRES-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.53
Rot. Bonds6

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

N-(3-ethyl-2-hydroxypentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 111115865) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID111115865
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1cnc2cc(C)ccn2c1=O
InChIInChI=1S/C17H23N3O3/c1-4-12(5-2)14(21)10-19-16(22)13-9-18-15-8-11(3)6-7-20(15)17(13)23/h6-9,12,14,21H,4-5,10H2,1-3H3,(H,19,22)
InChIKeyRMHZMDNDPJLRES-UHFFFAOYSA-N
XLogP1.53
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-{[(3R*,4R*)-3-hydroxy-4-(hydroxymethyl)-1-piperidinyl]carbonyl}-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 56907202
2-hydroxy-N-[(2S)-2-hydroxypropyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136814052
2-hydroxy-N-(2-hydroxypropyl)-8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680996
2-hydroxy-N-(1-hydroxybutan-2-yl)-8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680997
8-[(dimethylamino)methyl]-9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 121385080
3-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 175900049
N-(1-hydroxybutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 43417935
N-(2-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 43418276
N-(1-hydroxy-4-methylpentan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 61245333
N-(2-hydroxycyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 62365626
N-[3-(hydroxymethyl)pentan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 62519774
N-(2-cyclopropyl-2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 63295300

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 111115865) is N-(3-ethyl-2-hydroxypentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCC(CC)C(O)CNC(=O)c1cnc2cc(C)ccn2c1=O.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is RMHZMDNDPJLRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-4-12(5-2)14(21)10-19-16(22)13-9-18-15-8-11(3)6-7-20(15)17(13)23/h6-9,12,14,21H,4-5,10H2,1-3H3,(H,19,22).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(3-ethyl-2-hydroxypentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 111115865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).