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

C15H19N5O3 — CID 56745047

IUPACN-[(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
SMILESCNc1ncccc1C(=O)N[C@H]1C[C@H]2C(=O)N(C)CC(=O)N2C1
InChIInChI=1S/C15H19N5O3/c1-16-13-10(4-3-5-17-13)14(22)18-9-6-11-15(23)19(2)8-12(21)20(11)7-9/h3-5,9,11H,6-8H2,1-2H3,(H,16,17)(H,18,22)/t9-,11-/m0/s1
InChIKeyHTVUYBGKEAWLPM-ONGXEEELSA-N
MW317.35 g/mol
LogP-0.71
Rot. Bonds3

About 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

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 (PubChem CID 56745047) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID56745047
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC NameN-[(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
SMILESCNc1ncccc1C(=O)N[C@H]1C[C@H]2C(=O)N(C)CC(=O)N2C1
InChIInChI=1S/C15H19N5O3/c1-16-13-10(4-3-5-17-13)14(22)18-9-6-11-15(23)19(2)8-12(21)20(11)7-9/h3-5,9,11H,6-8H2,1-2H3,(H,16,17)(H,18,22)/t9-,11-/m0/s1
InChIKeyHTVUYBGKEAWLPM-ONGXEEELSA-N
XLogP-0.71
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 56756457
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-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-3-fluoro-5-(2-methylpyrimidin-4-yl)benzamide
CID 169418995
1-methyl-4-[2-(methylamino)pyridine-3-carbonyl]piperazin-2-one
CID 29149627
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-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(methylamino)pyridine-3-carboxamide
CID 155493910
N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-3-carboxamide
CID 56894023
N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-carboxamide
CID 63918472
N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 56755611
2-(methylamino)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide
CID 91778782
N-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carboxamide
CID 134703000

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNc1ncccc1C(=O)N[C@H]1C[C@H]2C(=O)N(C)CC(=O)N2C1.
What is the InChIKey of 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?
The InChIKey is HTVUYBGKEAWLPM-ONGXEEELSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-16-13-10(4-3-5-17-13)14(22)18-9-6-11-15(23)19(2)8-12(21)20(11)7-9/h3-5,9,11H,6-8H2,1-2H3,(H,16,17)(H,18,22)/t9-,11-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 317.35 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 56745047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).