N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide;formic acid

C16H22N4O5 — CID 171317185

About N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide;formic acid

N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide;formic acid (PubChem CID 171317185) has the molecular formula C16H22N4O5 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide;formic acid.

Molecular Properties

• Compound Name: N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide;formic acid
• PubChem CID: 171317185
• Molecular Formula: C16H22N4O5
• Molecular Weight: 350.38 g/mol
• Exact Mass: 350.16
• IUPAC Name: N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide;formic acid
• SMILES: CN1C[C@H]2C[C@@H](N(C)C(=O)c3c[nH]c(=O)cn3)C[C@H]2CC1=O.O=CO
• InChI: InChI=1S/C15H20N4O3.CH2O2/c1-18-8-10-4-11(3-9(10)5-14(18)21)19(2)15(22)12-6-17-13(20)7-16-12;2-1-3/h6-7,9-11H,3-5,8H2,1-2H3,(H,17,20);1H,(H,2,3)/t9-,10+,11-;/m0./s1
• InChIKey: LAZGYNMESPPFNS-MRDWIYSCSA-N
• XLogP: -0.20
• TPSA: 123.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.38
LogP ≤ 5	-0.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide;formic acid?

The IUPAC name of N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide;formic acid (CID 171317185) is N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide;formic acid.

What is the SMILES notation for N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide;formic acid?

The canonical SMILES for N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide;formic acid is CN1C[C@H]2C[C@@H](N(C)C(=O)c3c[nH]c(=O)cn3)C[C@H]2CC1=O.O=CO.

What is the InChIKey of N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide;formic acid?

The InChIKey is LAZGYNMESPPFNS-MRDWIYSCSA-N. The full InChI is InChI=1S/C15H20N4O3.CH2O2/c1-18-8-10-4-11(3-9(10)5-14(18)21)19(2)15(22)12-6-17-13(20)7-16-12;2-1-3/h6-7,9-11H,3-5,8H2,1-2H3,(H,17,20);1H,(H,2,3)/t9-,10+,11-;/m0./s1.

What are the key properties of N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide;formic acid?

N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide;formic acid has a molecular weight of 350.38 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide;formic acid is sourced from PubChem (CID 171317185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).