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

C24H25N7O — CID 58081291

IUPACN-[1-(6-amino-2,4-dimethyl-3-pyridinyl)cyclopropyl]-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide
SMILESCc1ccc2cc(Cn3cc(C(=O)NC4(c5c(C)cc(N)nc5C)CC4)nn3)ccc2n1
InChIInChI=1S/C24H25N7O/c1-14-10-21(25)27-16(3)22(14)24(8-9-24)28-23(32)20-13-31(30-29-20)12-17-5-7-19-18(11-17)6-4-15(2)26-19/h4-7,10-11,13H,8-9,12H2,1-3H3,(H2,25,27)(H,28,32)
InChIKeyIGVXGJBTGGNVPI-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.20
Rot. Bonds5

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

N-[1-(6-amino-2,4-dimethyl-3-pyridinyl)cyclopropyl]-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide (PubChem CID 58081291) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[1-(6-amino-2,4-dimethyl-3-pyridinyl)cyclopropyl]-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(6-amino-2,4-dimethyl-3-pyridinyl)cyclopropyl]-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide
PubChem CID58081291
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC NameN-[1-(6-amino-2,4-dimethyl-3-pyridinyl)cyclopropyl]-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide
SMILESCc1ccc2cc(Cn3cc(C(=O)NC4(c5c(C)cc(N)nc5C)CC4)nn3)ccc2n1
InChIInChI=1S/C24H25N7O/c1-14-10-21(25)27-16(3)22(14)24(8-9-24)28-23(32)20-13-31(30-29-20)12-17-5-7-19-18(11-17)6-4-15(2)26-19/h4-7,10-11,13H,8-9,12H2,1-3H3,(H2,25,27)(H,28,32)
InChIKeyIGVXGJBTGGNVPI-UHFFFAOYSA-N
XLogP3.20
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-amino-2,4-dimethyl-3-pyridinyl)cyclopropyl]-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide?
The IUPAC name of N-[1-(6-amino-2,4-dimethyl-3-pyridinyl)cyclopropyl]-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide (CID 58081291) is N-[1-(6-amino-2,4-dimethyl-3-pyridinyl)cyclopropyl]-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[1-(6-amino-2,4-dimethyl-3-pyridinyl)cyclopropyl]-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-[1-(6-amino-2,4-dimethyl-3-pyridinyl)cyclopropyl]-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide is Cc1ccc2cc(Cn3cc(C(=O)NC4(c5c(C)cc(N)nc5C)CC4)nn3)ccc2n1.
What is the InChIKey of N-[1-(6-amino-2,4-dimethyl-3-pyridinyl)cyclopropyl]-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide?
The InChIKey is IGVXGJBTGGNVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-14-10-21(25)27-16(3)22(14)24(8-9-24)28-23(32)20-13-31(30-29-20)12-17-5-7-19-18(11-17)6-4-15(2)26-19/h4-7,10-11,13H,8-9,12H2,1-3H3,(H2,25,27)(H,28,32).
What are the key properties of N-[1-(6-amino-2,4-dimethyl-3-pyridinyl)cyclopropyl]-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide?
N-[1-(6-amino-2,4-dimethyl-3-pyridinyl)cyclopropyl]-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-amino-2,4-dimethyl-3-pyridinyl)cyclopropyl]-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 58081291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).