4-[[3-(dimethylamino)phenyl]methylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide

C20H22N6O — CID 58440196

IUPAC4-[[3-(dimethylamino)phenyl]methylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide
SMILESCN(C)c1cccc(CNc2cc(Cc3cnccn3)ncc2C(N)=O)c1
InChIInChI=1S/C20H22N6O/c1-26(2)17-5-3-4-14(8-17)11-25-19-10-15(24-13-18(19)20(21)27)9-16-12-22-6-7-23-16/h3-8,10,12-13H,9,11H2,1-2H3,(H2,21,27)(H,24,25)
InChIKeyLRBCVVDZHUBJSQ-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.24
Rot. Bonds7

About 4-[[3-(dimethylamino)phenyl]methylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide

4-[[3-(dimethylamino)phenyl]methylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 58440196) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)phenyl]methylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[3-(dimethylamino)phenyl]methylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID58440196
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name4-[[3-(dimethylamino)phenyl]methylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide
SMILESCN(C)c1cccc(CNc2cc(Cc3cnccn3)ncc2C(N)=O)c1
InChIInChI=1S/C20H22N6O/c1-26(2)17-5-3-4-14(8-17)11-25-19-10-15(24-13-18(19)20(21)27)9-16-12-22-6-7-23-16/h3-8,10,12-13H,9,11H2,1-2H3,(H2,21,27)(H,24,25)
InChIKeyLRBCVVDZHUBJSQ-UHFFFAOYSA-N
XLogP2.24
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)phenyl]methylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 4-[[3-(dimethylamino)phenyl]methylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide (CID 58440196) is 4-[[3-(dimethylamino)phenyl]methylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[3-(dimethylamino)phenyl]methylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-[[3-(dimethylamino)phenyl]methylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide is CN(C)c1cccc(CNc2cc(Cc3cnccn3)ncc2C(N)=O)c1.
What is the InChIKey of 4-[[3-(dimethylamino)phenyl]methylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is LRBCVVDZHUBJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-26(2)17-5-3-4-14(8-17)11-25-19-10-15(24-13-18(19)20(21)27)9-16-12-22-6-7-23-16/h3-8,10,12-13H,9,11H2,1-2H3,(H2,21,27)(H,24,25).
What are the key properties of 4-[[3-(dimethylamino)phenyl]methylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide?
4-[[3-(dimethylamino)phenyl]methylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 362.44 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)phenyl]methylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 58440196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).