N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide

C24H23N7O — CID 134178770

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cnc2ccc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)c(C#N)n3)cc2c1
InChIInChI=1S/C24H23N7O/c1-14-6-18-8-17(4-5-21(18)27-10-14)12-31-13-20(22(9-25)30-31)24(32)28-11-19-15(2)7-23(26)29-16(19)3/h4-8,10,13H,11-12H2,1-3H3,(H2,26,29)(H,28,32)
InChIKeyRJJTWNPAAKOFGC-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.18
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide (PubChem CID 134178770) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide
PubChem CID134178770
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cnc2ccc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)c(C#N)n3)cc2c1
InChIInChI=1S/C24H23N7O/c1-14-6-18-8-17(4-5-21(18)27-10-14)12-31-13-20(22(9-25)30-31)24(32)28-11-19-15(2)7-23(26)29-16(19)3/h4-8,10,13H,11-12H2,1-3H3,(H2,26,29)(H,28,32)
InChIKeyRJJTWNPAAKOFGC-UHFFFAOYSA-N
XLogP3.18
TPSA122.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide (CID 134178770) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide is Cc1cnc2ccc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)c(C#N)n3)cc2c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is RJJTWNPAAKOFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-14-6-18-8-17(4-5-21(18)27-10-14)12-31-13-20(22(9-25)30-31)24(32)28-11-19-15(2)7-23(26)29-16(19)3/h4-8,10,13H,11-12H2,1-3H3,(H2,26,29)(H,28,32).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 425.50 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 134178770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).