N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-methylquinolin-3-yl)methyl]triazole-4-carboxamide

C22H23N7O — CID 58081222

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-methylquinolin-3-yl)methyl]triazole-4-carboxamide
SMILESCc1ccc2cc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)nn3)cnc2c1
InChIInChI=1S/C22H23N7O/c1-13-4-5-17-8-16(9-24-19(17)6-13)11-29-12-20(27-28-29)22(30)25-10-18-14(2)7-21(23)26-15(18)3/h4-9,12H,10-11H2,1-3H3,(H2,23,26)(H,25,30)
InChIKeyGKNSRNKGBOLEPP-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.71
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-methylquinolin-3-yl)methyl]triazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-methylquinolin-3-yl)methyl]triazole-4-carboxamide (PubChem CID 58081222) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-methylquinolin-3-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-methylquinolin-3-yl)methyl]triazole-4-carboxamide
PubChem CID58081222
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-methylquinolin-3-yl)methyl]triazole-4-carboxamide
SMILESCc1ccc2cc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)nn3)cnc2c1
InChIInChI=1S/C22H23N7O/c1-13-4-5-17-8-16(9-24-19(17)6-13)11-29-12-20(27-28-29)22(30)25-10-18-14(2)7-21(23)26-15(18)3/h4-9,12H,10-11H2,1-3H3,(H2,23,26)(H,25,30)
InChIKeyGKNSRNKGBOLEPP-UHFFFAOYSA-N
XLogP2.71
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.71
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]-1-[(7-methylquinolin-3-yl)methyl]triazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-methylquinolin-3-yl)methyl]triazole-4-carboxamide (CID 58081222) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-methylquinolin-3-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-methylquinolin-3-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-methylquinolin-3-yl)methyl]triazole-4-carboxamide is Cc1ccc2cc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)nn3)cnc2c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-methylquinolin-3-yl)methyl]triazole-4-carboxamide?
The InChIKey is GKNSRNKGBOLEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-13-4-5-17-8-16(9-24-19(17)6-13)11-29-12-20(27-28-29)22(30)25-10-18-14(2)7-21(23)26-15(18)3/h4-9,12H,10-11H2,1-3H3,(H2,23,26)(H,25,30).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-methylquinolin-3-yl)methyl]triazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-methylquinolin-3-yl)methyl]triazole-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 2.71, 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]-1-[(7-methylquinolin-3-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 58081222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).