N-(2-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-8-yl)pyridine-4-carboxamide

C15H18N4O3 — CID 3749820

IUPACN-(2-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-8-yl)pyridine-4-carboxamide
SMILESCN1CC(=O)N2CCC(NC(=O)c3ccncc3)CC2C1=O
InChIInChI=1S/C15H18N4O3/c1-18-9-13(20)19-7-4-11(8-12(19)15(18)22)17-14(21)10-2-5-16-6-3-10/h2-3,5-6,11-12H,4,7-9H2,1H3,(H,17,21)
InChIKeyMJDIVPNHGAASIU-UHFFFAOYSA-N
MW302.33 g/mol
LogP-0.36
Rot. Bonds2

About N-(2-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-8-yl)pyridine-4-carboxamide

N-(2-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-8-yl)pyridine-4-carboxamide (PubChem CID 3749820) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-(2-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-8-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-8-yl)pyridine-4-carboxamide
PubChem CID3749820
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-(2-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-8-yl)pyridine-4-carboxamide
SMILESCN1CC(=O)N2CCC(NC(=O)c3ccncc3)CC2C1=O
InChIInChI=1S/C15H18N4O3/c1-18-9-13(20)19-7-4-11(8-12(19)15(18)22)17-14(21)10-2-5-16-6-3-10/h2-3,5-6,11-12H,4,7-9H2,1H3,(H,17,21)
InChIKeyMJDIVPNHGAASIU-UHFFFAOYSA-N
XLogP-0.36
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)pyridine-4-carboxamide
CID 3830993
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-[(7S,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-4-pyrrol-1-ylbenzamide
CID 56758393
N-[(7S,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-4-(1H-1,2,4-triazol-5-yl)benzamide
CID 56757130
N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249951
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
N-(1-ethylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249927
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647
N-[(7S,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(methylamino)pyridine-3-carboxamide
CID 56745047
N-cyclopentylpyridine-4-carboxamide
CID 4212000
N-[(1R,3R)-3-fluorocyclopentyl]pyridine-4-carboxamide
CID 129348302

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-8-yl)pyridine-4-carboxamide?
The IUPAC name of N-(2-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-8-yl)pyridine-4-carboxamide (CID 3749820) is N-(2-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-8-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-8-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-8-yl)pyridine-4-carboxamide is CN1CC(=O)N2CCC(NC(=O)c3ccncc3)CC2C1=O.
What is the InChIKey of N-(2-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-8-yl)pyridine-4-carboxamide?
The InChIKey is MJDIVPNHGAASIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-18-9-13(20)19-7-4-11(8-12(19)15(18)22)17-14(21)10-2-5-16-6-3-10/h2-3,5-6,11-12H,4,7-9H2,1H3,(H,17,21).
What are the key properties of N-(2-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-8-yl)pyridine-4-carboxamide?
N-(2-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-8-yl)pyridine-4-carboxamide has a molecular weight of 302.33 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-8-yl)pyridine-4-carboxamide is sourced from PubChem (CID 3749820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).