6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide

C25H23ClN6O2 — CID 118665386

IUPAC6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(C(N)=O)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C25H23ClN6O2/c1-13-5-22(27)32-14(2)21(13)12-31-25(34)16-3-4-29-19(10-16)7-15-6-17-9-18(26)11-30-23(17)20(8-15)24(28)33/h3-6,8-11H,7,12H2,1-2H3,(H2,27,32)(H2,28,33)(H,31,34)
InChIKeyINWUNFFPSCFXCA-UHFFFAOYSA-N
MW474.95 g/mol
LogP3.50
Rot. Bonds6

About 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide

6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide (PubChem CID 118665386) has the molecular formula C25H23ClN6O2 and a molecular weight of 474.95 g/mol. Its IUPAC name is 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide.

Molecular Properties

Compound Name6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide
PubChem CID118665386
Molecular FormulaC25H23ClN6O2
Molecular Weight474.95 g/mol
Exact Mass474.16
IUPAC Name6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(C(N)=O)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C25H23ClN6O2/c1-13-5-22(27)32-14(2)21(13)12-31-25(34)16-3-4-29-19(10-16)7-15-6-17-9-18(26)11-30-23(17)20(8-15)24(28)33/h3-6,8-11H,7,12H2,1-2H3,(H2,27,32)(H2,28,33)(H,31,34)
InChIKeyINWUNFFPSCFXCA-UHFFFAOYSA-N
XLogP3.50
TPSA136.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide?
The IUPAC name of 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide (CID 118665386) is 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide.
What is the SMILES notation for 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide?
The canonical SMILES for 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(C(N)=O)c3ncc(Cl)cc3c2)c1.
What is the InChIKey of 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide?
The InChIKey is INWUNFFPSCFXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN6O2/c1-13-5-22(27)32-14(2)21(13)12-31-25(34)16-3-4-29-19(10-16)7-15-6-17-9-18(26)11-30-23(17)20(8-15)24(28)33/h3-6,8-11H,7,12H2,1-2H3,(H2,27,32)(H2,28,33)(H,31,34).
What are the key properties of 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide?
6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide has a molecular weight of 474.95 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide is sourced from PubChem (CID 118665386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).