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

C22H23N7O — CID 58081326

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide
SMILESCc1ccc2cc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)nn3)ccc2n1
InChIInChI=1S/C22H23N7O/c1-13-8-21(23)26-15(3)18(13)10-24-22(30)20-12-29(28-27-20)11-16-5-7-19-17(9-16)6-4-14(2)25-19/h4-9,12H,10-11H2,1-3H3,(H2,23,26)(H,24,30)
InChIKeyBYZNGWXDOMLVBH-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.71
Rot. Bonds5

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide (PubChem CID 58081326) 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-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide
PubChem CID58081326
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide
SMILESCc1ccc2cc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)nn3)ccc2n1
InChIInChI=1S/C22H23N7O/c1-13-8-21(23)26-15(3)18(13)10-24-22(30)20-12-29(28-27-20)11-16-5-7-19-17(9-16)6-4-14(2)25-19/h4-9,12H,10-11H2,1-3H3,(H2,23,26)(H,24,30)
InChIKeyBYZNGWXDOMLVBH-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-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide (CID 58081326) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide is Cc1ccc2cc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)nn3)ccc2n1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide?
The InChIKey is BYZNGWXDOMLVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-13-8-21(23)26-15(3)18(13)10-24-22(30)20-12-29(28-27-20)11-16-5-7-19-17(9-16)6-4-14(2)25-19/h4-9,12H,10-11H2,1-3H3,(H2,23,26)(H,24,30).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-methylquinolin-6-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-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 58081326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).