N-[(8R,9aS)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]pyridine-4-carboxamide

C14H16N4O3 — CID 162803971

IUPACN-[(8R,9aS)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CCN2C(=O)CNC(=O)[C@@H]2C1)c1ccncc1
InChIInChI=1S/C14H16N4O3/c19-12-8-16-14(21)11-7-10(3-6-18(11)12)17-13(20)9-1-4-15-5-2-9/h1-2,4-5,10-11H,3,6-8H2,(H,16,21)(H,17,20)/t10-,11+/m1/s1
InChIKeyYHSQRBDSDVLUOX-MNOVXSKESA-N
MW288.31 g/mol
LogP-0.70
Rot. Bonds2

About N-[(8R,9aS)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]pyridine-4-carboxamide

N-[(8R,9aS)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]pyridine-4-carboxamide (PubChem CID 162803971) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[(8R,9aS)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(8R,9aS)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]pyridine-4-carboxamide
PubChem CID162803971
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-[(8R,9aS)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CCN2C(=O)CNC(=O)[C@@H]2C1)c1ccncc1
InChIInChI=1S/C14H16N4O3/c19-12-8-16-14(21)11-7-10(3-6-18(11)12)17-13(20)9-1-4-15-5-2-9/h1-2,4-5,10-11H,3,6-8H2,(H,16,21)(H,17,20)/t10-,11+/m1/s1
InChIKeyYHSQRBDSDVLUOX-MNOVXSKESA-N
XLogP-0.70
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(8R,9aS)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl)thiophene-2-carboxamide
CID 3870730
N-(2-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-8-yl)pyridine-4-carboxamide
CID 3749820
N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)pyridine-4-carboxamide
CID 3830993
N-[(7S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 121494874
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
N-[(7S,8aR)-1,3-dioxo-2-(4-propan-2-ylphenyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide
CID 163072708
N-[6,12-dioxo-2-[3-(trifluoromethyl)phenyl]-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]pyridine-4-carboxamide
CID 3812232
N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 127165661
N-cyclopentylpyridine-4-carboxamide
CID 4212000
N-[(1R,3R)-3-fluorocyclopentyl]pyridine-4-carboxamide
CID 129348302
N-(1-ethylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249927
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647

Frequently Asked Questions

What is the IUPAC name of N-[(8R,9aS)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(8R,9aS)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]pyridine-4-carboxamide (CID 162803971) is N-[(8R,9aS)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(8R,9aS)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(8R,9aS)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]pyridine-4-carboxamide is O=C(N[C@@H]1CCN2C(=O)CNC(=O)[C@@H]2C1)c1ccncc1.
What is the InChIKey of N-[(8R,9aS)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]pyridine-4-carboxamide?
The InChIKey is YHSQRBDSDVLUOX-MNOVXSKESA-N. The full InChI is InChI=1S/C14H16N4O3/c19-12-8-16-14(21)11-7-10(3-6-18(11)12)17-13(20)9-1-4-15-5-2-9/h1-2,4-5,10-11H,3,6-8H2,(H,16,21)(H,17,20)/t10-,11+/m1/s1.
What are the key properties of N-[(8R,9aS)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]pyridine-4-carboxamide?
N-[(8R,9aS)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]pyridine-4-carboxamide has a molecular weight of 288.31 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8R,9aS)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]pyridine-4-carboxamide is sourced from PubChem (CID 162803971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).