N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-N-methylpyrido[2,3-b]pyrazine-6-carboxamide

C19H26N4O2 — CID 124848713

IUPACN-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-N-methylpyrido[2,3-b]pyrazine-6-carboxamide
SMILESCCCCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc3nccnc3n2)C1(C)C
InChIInChI=1S/C19H26N4O2/c1-5-6-11-25-16-12-15(19(16,2)3)23(4)18(24)14-8-7-13-17(22-14)21-10-9-20-13/h7-10,15-16H,5-6,11-12H2,1-4H3/t15-,16-/m1/s1
InChIKeyNGZUXOTXBFWZDG-HZPDHXFCSA-N
MW342.44 g/mol
LogP3.08
Rot. Bonds6

About N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-N-methylpyrido[2,3-b]pyrazine-6-carboxamide

N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-N-methylpyrido[2,3-b]pyrazine-6-carboxamide (PubChem CID 124848713) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-N-methylpyrido[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-N-methylpyrido[2,3-b]pyrazine-6-carboxamide
PubChem CID124848713
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-N-methylpyrido[2,3-b]pyrazine-6-carboxamide
SMILESCCCCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc3nccnc3n2)C1(C)C
InChIInChI=1S/C19H26N4O2/c1-5-6-11-25-16-12-15(19(16,2)3)23(4)18(24)14-8-7-13-17(22-14)21-10-9-20-13/h7-10,15-16H,5-6,11-12H2,1-4H3/t15-,16-/m1/s1
InChIKeyNGZUXOTXBFWZDG-HZPDHXFCSA-N
XLogP3.08
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-N-methylpyrido[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-N-methylpyrido[2,3-b]pyrazine-6-carboxamide (CID 124848713) is N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-N-methylpyrido[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-N-methylpyrido[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-N-methylpyrido[2,3-b]pyrazine-6-carboxamide is CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc3nccnc3n2)C1(C)C.
What is the InChIKey of N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-N-methylpyrido[2,3-b]pyrazine-6-carboxamide?
The InChIKey is NGZUXOTXBFWZDG-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-5-6-11-25-16-12-15(19(16,2)3)23(4)18(24)14-8-7-13-17(22-14)21-10-9-20-13/h7-10,15-16H,5-6,11-12H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-N-methylpyrido[2,3-b]pyrazine-6-carboxamide?
N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-N-methylpyrido[2,3-b]pyrazine-6-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-N-methylpyrido[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 124848713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).