N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide

C24H19ClN8O — CID 134178753

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2cc(C#N)c3ncc(Cl)cc3c2)nc1C#N
InChIInChI=1S/C24H19ClN8O/c1-13-3-22(28)31-14(2)19(13)10-30-24(34)20-12-33(32-21(20)8-27)11-15-4-16-6-18(25)9-29-23(16)17(5-15)7-26/h3-6,9,12H,10-11H2,1-2H3,(H2,28,31)(H,30,34)
InChIKeyABUOKOXGYGWPDU-UHFFFAOYSA-N
MW470.92 g/mol
LogP3.40
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide (PubChem CID 134178753) has the molecular formula C24H19ClN8O and a molecular weight of 470.92 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide
PubChem CID134178753
Molecular FormulaC24H19ClN8O
Molecular Weight470.92 g/mol
Exact Mass470.14
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2cc(C#N)c3ncc(Cl)cc3c2)nc1C#N
InChIInChI=1S/C24H19ClN8O/c1-13-3-22(28)31-14(2)19(13)10-30-24(34)20-12-33(32-21(20)8-27)11-15-4-16-6-18(25)9-29-23(16)17(5-15)7-26/h3-6,9,12H,10-11H2,1-2H3,(H2,28,31)(H,30,34)
InChIKeyABUOKOXGYGWPDU-UHFFFAOYSA-N
XLogP3.40
TPSA146.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.92
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide (CID 134178753) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2cc(C#N)c3ncc(Cl)cc3c2)nc1C#N.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide?
The InChIKey is ABUOKOXGYGWPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN8O/c1-13-3-22(28)31-14(2)19(13)10-30-24(34)20-12-33(32-21(20)8-27)11-15-4-16-6-18(25)9-29-23(16)17(5-15)7-26/h3-6,9,12H,10-11H2,1-2H3,(H2,28,31)(H,30,34).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide has a molecular weight of 470.92 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide is sourced from PubChem (CID 134178753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).