N-[3-(5-amino-1,3-dimethyl-2,6-dihydropyrazin-3-yl)phenyl]-5-chloropyridine-2-carboxamide

C18H20ClN5O — CID 73355084

IUPACN-[3-(5-amino-1,3-dimethyl-2,6-dihydropyrazin-3-yl)phenyl]-5-chloropyridine-2-carboxamide
SMILESCN1CC(N)=NC(C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)C1
InChIInChI=1S/C18H20ClN5O/c1-18(11-24(2)10-16(20)23-18)12-4-3-5-14(8-12)22-17(25)15-7-6-13(19)9-21-15/h3-9H,10-11H2,1-2H3,(H2,20,23)(H,22,25)
InChIKeyYDTKBAVBHFZIQT-UHFFFAOYSA-N
MW357.85 g/mol
LogP2.51
Rot. Bonds3

About N-[3-(5-amino-1,3-dimethyl-2,6-dihydropyrazin-3-yl)phenyl]-5-chloropyridine-2-carboxamide

N-[3-(5-amino-1,3-dimethyl-2,6-dihydropyrazin-3-yl)phenyl]-5-chloropyridine-2-carboxamide (PubChem CID 73355084) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is N-[3-(5-amino-1,3-dimethyl-2,6-dihydropyrazin-3-yl)phenyl]-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-amino-1,3-dimethyl-2,6-dihydropyrazin-3-yl)phenyl]-5-chloropyridine-2-carboxamide
PubChem CID73355084
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC NameN-[3-(5-amino-1,3-dimethyl-2,6-dihydropyrazin-3-yl)phenyl]-5-chloropyridine-2-carboxamide
SMILESCN1CC(N)=NC(C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)C1
InChIInChI=1S/C18H20ClN5O/c1-18(11-24(2)10-16(20)23-18)12-4-3-5-14(8-12)22-17(25)15-7-6-13(19)9-21-15/h3-9H,10-11H2,1-2H3,(H2,20,23)(H,22,25)
InChIKeyYDTKBAVBHFZIQT-UHFFFAOYSA-N
XLogP2.51
TPSA83.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-1,3-dimethyl-2,6-dihydropyrazin-3-yl)phenyl]-5-chloropyridine-2-carboxamide?
The IUPAC name of N-[3-(5-amino-1,3-dimethyl-2,6-dihydropyrazin-3-yl)phenyl]-5-chloropyridine-2-carboxamide (CID 73355084) is N-[3-(5-amino-1,3-dimethyl-2,6-dihydropyrazin-3-yl)phenyl]-5-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[3-(5-amino-1,3-dimethyl-2,6-dihydropyrazin-3-yl)phenyl]-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-[3-(5-amino-1,3-dimethyl-2,6-dihydropyrazin-3-yl)phenyl]-5-chloropyridine-2-carboxamide is CN1CC(N)=NC(C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)C1.
What is the InChIKey of N-[3-(5-amino-1,3-dimethyl-2,6-dihydropyrazin-3-yl)phenyl]-5-chloropyridine-2-carboxamide?
The InChIKey is YDTKBAVBHFZIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-18(11-24(2)10-16(20)23-18)12-4-3-5-14(8-12)22-17(25)15-7-6-13(19)9-21-15/h3-9H,10-11H2,1-2H3,(H2,20,23)(H,22,25).
What are the key properties of N-[3-(5-amino-1,3-dimethyl-2,6-dihydropyrazin-3-yl)phenyl]-5-chloropyridine-2-carboxamide?
N-[3-(5-amino-1,3-dimethyl-2,6-dihydropyrazin-3-yl)phenyl]-5-chloropyridine-2-carboxamide has a molecular weight of 357.85 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-1,3-dimethyl-2,6-dihydropyrazin-3-yl)phenyl]-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 73355084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).