ZGYIOYKVCAJRKO-UHFFFAOYSA-N

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

C₂₃H₂₀ClN₅O — CID 118213054

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

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide

SMILESCc1nc(N)ccc1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1

InChIInChI=1S/C23H20ClN5O/c1-14-17(3-5-22(25)29-14)12-28-23(30)16-6-7-26-20(11-16)9-15-2-4-21-18(8-15)10-19(24)13-27-21/h2-8,10-11,13H,9,12H2,1H3,(H2,25,29)(H,28,30)

InChIKeyZGYIOYKVCAJRKO-UHFFFAOYSA-N

MW417.90 g/mol

LogP4.09

Rot. Bonds5

About ZGYIOYKVCAJRKO-UHFFFAOYSA-N

ZGYIOYKVCAJRKO-UHFFFAOYSA-N (PubChem CID 118213054) has the molecular formula C₂₃H₂₀ClN₅O and a molecular weight of 417.90 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name	ZGYIOYKVCAJRKO-UHFFFAOYSA-N
PubChem CID	118213054
Molecular Formula	C₂₃H₂₀ClN₅O
Molecular Weight	417.90 g/mol
Exact Mass	417.14
IUPAC Name	N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILES	Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
InChI	InChI=1S/C23H20ClN5O/c1-14-17(3-5-22(25)29-14)12-28-23(30)16-6-7-26-20(11-16)9-15-2-4-21-18(8-15)10-19(24)13-27-21/h2-8,10-11,13H,9,12H2,1H3,(H2,25,29)(H,28,30)
InChIKey	ZGYIOYKVCAJRKO-UHFFFAOYSA-N
XLogP	4.09
TPSA	93.79 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.90
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of ZGYIOYKVCAJRKO-UHFFFAOYSA-N (CID 118213054) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide.

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

The canonical SMILES for ZGYIOYKVCAJRKO-UHFFFAOYSA-N is Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1.

What is the InChIKey of ZGYIOYKVCAJRKO-UHFFFAOYSA-N?

The InChIKey is ZGYIOYKVCAJRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O/c1-14-17(3-5-22(25)29-14)12-28-23(30)16-6-7-26-20(11-16)9-15-2-4-21-18(8-15)10-19(24)13-27-21/h2-8,10-11,13H,9,12H2,1H3,(H2,25,29)(H,28,30).

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

ZGYIOYKVCAJRKO-UHFFFAOYSA-N has a molecular weight of 417.90 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ZGYIOYKVCAJRKO-UHFFFAOYSA-N is sourced from PubChem (CID 118213054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 118213054 — identifiers, structure, computed properties (public domain)

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