3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide

C25H26N8O2 — CID 155678705

IUPAC3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3cccc(N4CCCC4)n3)c(N)nc2-c2ccc[nH]2)ccc1=O
InChIInChI=1S/C25H26N8O2/c1-32-15-16(9-10-20(32)34)21-22(18-7-5-11-27-18)31-24(26)23(30-21)25(35)28-14-17-6-4-8-19(29-17)33-12-2-3-13-33/h4-11,15,27H,2-3,12-14H2,1H3,(H2,26,31)(H,28,35)
InChIKeyMCWKGJAKAPECGI-UHFFFAOYSA-N
MW470.54 g/mol
LogP2.34
Rot. Bonds6

About 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide

3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide (PubChem CID 155678705) has the molecular formula C25H26N8O2 and a molecular weight of 470.54 g/mol. Its IUPAC name is 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
PubChem CID155678705
Molecular FormulaC25H26N8O2
Molecular Weight470.54 g/mol
Exact Mass470.22
IUPAC Name3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3cccc(N4CCCC4)n3)c(N)nc2-c2ccc[nH]2)ccc1=O
InChIInChI=1S/C25H26N8O2/c1-32-15-16(9-10-20(32)34)21-22(18-7-5-11-27-18)31-24(26)23(30-21)25(35)28-14-17-6-4-8-19(29-17)33-12-2-3-13-33/h4-11,15,27H,2-3,12-14H2,1H3,(H2,26,31)(H,28,35)
InChIKeyMCWKGJAKAPECGI-UHFFFAOYSA-N
XLogP2.34
TPSA134.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.54
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide (CID 155678705) is 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide is Cn1cc(-c2nc(C(=O)NCc3cccc(N4CCCC4)n3)c(N)nc2-c2ccc[nH]2)ccc1=O.
What is the InChIKey of 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
The InChIKey is MCWKGJAKAPECGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O2/c1-32-15-16(9-10-20(32)34)21-22(18-7-5-11-27-18)31-24(26)23(30-21)25(35)28-14-17-6-4-8-19(29-17)33-12-2-3-13-33/h4-11,15,27H,2-3,12-14H2,1H3,(H2,26,31)(H,28,35).
What are the key properties of 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide has a molecular weight of 470.54 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155678705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).