N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(4-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide

C24H24N6O2 — CID 56835998

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(4-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1n[nH]c(Cc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C24H24N6O2/c1-15-12-21(25)27-16(2)20(15)14-26-24(31)23-28-22(29-30-23)13-17-8-10-19(11-9-17)32-18-6-4-3-5-7-18/h3-12H,13-14H2,1-2H3,(H2,25,27)(H,26,31)(H,28,29,30)
InChIKeyMUXCZCRVQFQAIS-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.71
Rot. Bonds7

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(4-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(4-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 56835998) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(4-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(4-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide
PubChem CID56835998
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(4-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1n[nH]c(Cc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C24H24N6O2/c1-15-12-21(25)27-16(2)20(15)14-26-24(31)23-28-22(29-30-23)13-17-8-10-19(11-9-17)32-18-6-4-3-5-7-18/h3-12H,13-14H2,1-2H3,(H2,25,27)(H,26,31)(H,28,29,30)
InChIKeyMUXCZCRVQFQAIS-UHFFFAOYSA-N
XLogP3.71
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(4-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(4-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide (CID 56835998) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(4-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(4-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(4-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1n[nH]c(Cc2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(4-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is MUXCZCRVQFQAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-15-12-21(25)27-16(2)20(15)14-26-24(31)23-28-22(29-30-23)13-17-8-10-19(11-9-17)32-18-6-4-3-5-7-18/h3-12H,13-14H2,1-2H3,(H2,25,27)(H,26,31)(H,28,29,30).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(4-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(4-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 3.71, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(4-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 56835998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).