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

C24H21ClN6O2 — CID 118665130

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide
SMILESCc1cc(N)ncc1CNC(=O)c1ccnc(Cc2cc(C(N)=O)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C24H21ClN6O2/c1-13-4-21(26)29-10-17(13)11-31-24(33)15-2-3-28-19(9-15)6-14-5-16-8-18(25)12-30-22(16)20(7-14)23(27)32/h2-5,7-10,12H,6,11H2,1H3,(H2,26,29)(H2,27,32)(H,31,33)
InChIKeyZAZOBWBMBQVKFV-UHFFFAOYSA-N
MW460.93 g/mol
LogP3.19
Rot. Bonds6

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

6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide (PubChem CID 118665130) has the molecular formula C24H21ClN6O2 and a molecular weight of 460.93 g/mol. Its IUPAC name is 6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide.

Molecular Properties

Compound Name6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide
PubChem CID118665130
Molecular FormulaC24H21ClN6O2
Molecular Weight460.93 g/mol
Exact Mass460.14
IUPAC Name6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide
SMILESCc1cc(N)ncc1CNC(=O)c1ccnc(Cc2cc(C(N)=O)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C24H21ClN6O2/c1-13-4-21(26)29-10-17(13)11-31-24(33)15-2-3-28-19(9-15)6-14-5-16-8-18(25)12-30-22(16)20(7-14)23(27)32/h2-5,7-10,12H,6,11H2,1H3,(H2,26,29)(H2,27,32)(H,31,33)
InChIKeyZAZOBWBMBQVKFV-UHFFFAOYSA-N
XLogP3.19
TPSA136.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.93
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide?
The IUPAC name of 6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide (CID 118665130) is 6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide.
What is the SMILES notation for 6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide?
The canonical SMILES for 6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide is Cc1cc(N)ncc1CNC(=O)c1ccnc(Cc2cc(C(N)=O)c3ncc(Cl)cc3c2)c1.
What is the InChIKey of 6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide?
The InChIKey is ZAZOBWBMBQVKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O2/c1-13-4-21(26)29-10-17(13)11-31-24(33)15-2-3-28-19(9-15)6-14-5-16-8-18(25)12-30-22(16)20(7-14)23(27)32/h2-5,7-10,12H,6,11H2,1H3,(H2,26,29)(H2,27,32)(H,31,33).
What are the key properties of 6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide?
6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide has a molecular weight of 460.93 g/mol, XLogP of 3.19, 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-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide is sourced from PubChem (CID 118665130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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