N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-cyanobenzamide

C19H20N6O — CID 22729603

IUPACN-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-cyanobenzamide
SMILESCc1nc(N)c2nc(C)n(CCNC(=O)c3cccc(C#N)c3)c2c1C
InChIInChI=1S/C19H20N6O/c1-11-12(2)23-18(21)16-17(11)25(13(3)24-16)8-7-22-19(26)15-6-4-5-14(9-15)10-20/h4-6,9H,7-8H2,1-3H3,(H2,21,23)(H,22,26)
InChIKeyBZMNGSSWAOYBDM-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.24
Rot. Bonds4

About N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-cyanobenzamide

N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-cyanobenzamide (PubChem CID 22729603) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-cyanobenzamide.

Molecular Properties

Compound NameN-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-cyanobenzamide
PubChem CID22729603
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC NameN-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-cyanobenzamide
SMILESCc1nc(N)c2nc(C)n(CCNC(=O)c3cccc(C#N)c3)c2c1C
InChIInChI=1S/C19H20N6O/c1-11-12(2)23-18(21)16-17(11)25(13(3)24-16)8-7-22-19(26)15-6-4-5-14(9-15)10-20/h4-6,9H,7-8H2,1-3H3,(H2,21,23)(H,22,26)
InChIKeyBZMNGSSWAOYBDM-UHFFFAOYSA-N
XLogP2.24
TPSA109.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-cyanobenzamide?
The IUPAC name of N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-cyanobenzamide (CID 22729603) is N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-cyanobenzamide.
What is the SMILES notation for N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-cyanobenzamide?
The canonical SMILES for N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-cyanobenzamide is Cc1nc(N)c2nc(C)n(CCNC(=O)c3cccc(C#N)c3)c2c1C.
What is the InChIKey of N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-cyanobenzamide?
The InChIKey is BZMNGSSWAOYBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-11-12(2)23-18(21)16-17(11)25(13(3)24-16)8-7-22-19(26)15-6-4-5-14(9-15)10-20/h4-6,9H,7-8H2,1-3H3,(H2,21,23)(H,22,26).
What are the key properties of N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-cyanobenzamide?
N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-cyanobenzamide has a molecular weight of 348.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-cyanobenzamide is sourced from PubChem (CID 22729603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).