AHIHHHDVKREJBC-UHFFFAOYSA-N

Name: AHIHHHDVKREJBC-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₁₆N₆O — CID 122478505

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACN-[5-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-6-(6-methyl-2-pyridinyl)-3-pyridinyl]acetamide

SMILESCC(=O)Nc1cnc(-c2cccc(C)n2)c(-c2ccc3ncc(C#N)n3c2)c1

InChIInChI=1S/C21H16N6O/c1-13-4-3-5-19(25-13)21-18(8-16(10-24-21)26-14(2)28)15-6-7-20-23-11-17(9-22)27(20)12-15/h3-8,10-12H,1-2H3,(H,26,28)

InChIKeyAHIHHHDVKREJBC-UHFFFAOYSA-N

MW368.40 g/mol

LogP3.60

Rot. Bonds3

About AHIHHHDVKREJBC-UHFFFAOYSA-N

AHIHHHDVKREJBC-UHFFFAOYSA-N (PubChem CID 122478505) has the molecular formula C₂₁H₁₆N₆O and a molecular weight of 368.40 g/mol. Its IUPAC name is N-[5-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-6-(6-methyl-2-pyridinyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name	AHIHHHDVKREJBC-UHFFFAOYSA-N
PubChem CID	122478505
Molecular Formula	C₂₁H₁₆N₆O
Molecular Weight	368.40 g/mol
Exact Mass	368.14
IUPAC Name	N-[5-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-6-(6-methyl-2-pyridinyl)-3-pyridinyl]acetamide
SMILES	CC(=O)Nc1cnc(-c2cccc(C)n2)c(-c2ccc3ncc(C#N)n3c2)c1
InChI	InChI=1S/C21H16N6O/c1-13-4-3-5-19(25-13)21-18(8-16(10-24-21)26-14(2)28)15-6-7-20-23-11-17(9-22)27(20)12-15/h3-8,10-12H,1-2H3,(H,26,28)
InChIKey	AHIHHHDVKREJBC-UHFFFAOYSA-N
XLogP	3.60
TPSA	95.97 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.40
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of AHIHHHDVKREJBC-UHFFFAOYSA-N?

The IUPAC name of AHIHHHDVKREJBC-UHFFFAOYSA-N (CID 122478505) is N-[5-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-6-(6-methyl-2-pyridinyl)-3-pyridinyl]acetamide.

What is the SMILES notation for AHIHHHDVKREJBC-UHFFFAOYSA-N?

The canonical SMILES for AHIHHHDVKREJBC-UHFFFAOYSA-N is CC(=O)Nc1cnc(-c2cccc(C)n2)c(-c2ccc3ncc(C#N)n3c2)c1.

What is the InChIKey of AHIHHHDVKREJBC-UHFFFAOYSA-N?

The InChIKey is AHIHHHDVKREJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O/c1-13-4-3-5-19(25-13)21-18(8-16(10-24-21)26-14(2)28)15-6-7-20-23-11-17(9-22)27(20)12-15/h3-8,10-12H,1-2H3,(H,26,28).

What are the key properties of AHIHHHDVKREJBC-UHFFFAOYSA-N?

AHIHHHDVKREJBC-UHFFFAOYSA-N has a molecular weight of 368.40 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for AHIHHHDVKREJBC-UHFFFAOYSA-N is sourced from PubChem (CID 122478505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 122478505 — identifiers, structure, computed properties (public domain)

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