N-[5-[4-[[methyl-[(4-pyridin-2-ylphenyl)methyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C30H28N6O — CID 58374720

IUPACN-[5-[4-[[methyl-[(4-pyridin-2-ylphenyl)methyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCN(Cc1ccc(-c2ccccn2)cc1)Cc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
InChIInChI=1S/C30H28N6O/c1-35(19-21-8-12-23(13-9-21)26-5-2-3-18-31-26)20-22-10-14-24(15-11-22)27-6-4-7-28-32-30(34-36(27)28)33-29(37)25-16-17-25/h2-15,18,25H,16-17,19-20H2,1H3,(H,33,34,37)
InChIKeySKGHAOQCRIOFRI-UHFFFAOYSA-N
MW488.60 g/mol
LogP5.44
Rot. Bonds8

About N-[5-[4-[[methyl-[(4-pyridin-2-ylphenyl)methyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[[methyl-[(4-pyridin-2-ylphenyl)methyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 58374720) has the molecular formula C30H28N6O and a molecular weight of 488.60 g/mol. Its IUPAC name is N-[5-[4-[[methyl-[(4-pyridin-2-ylphenyl)methyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[[methyl-[(4-pyridin-2-ylphenyl)methyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID58374720
Molecular FormulaC30H28N6O
Molecular Weight488.60 g/mol
Exact Mass488.23
IUPAC NameN-[5-[4-[[methyl-[(4-pyridin-2-ylphenyl)methyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCN(Cc1ccc(-c2ccccn2)cc1)Cc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
InChIInChI=1S/C30H28N6O/c1-35(19-21-8-12-23(13-9-21)26-5-2-3-18-31-26)20-22-10-14-24(15-11-22)27-6-4-7-28-32-30(34-36(27)28)33-29(37)25-16-17-25/h2-15,18,25H,16-17,19-20H2,1H3,(H,33,34,37)
InChIKeySKGHAOQCRIOFRI-UHFFFAOYSA-N
XLogP5.44
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.60
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[[methyl-[(4-pyridin-2-ylphenyl)methyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[[methyl-[(4-pyridin-2-ylphenyl)methyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 58374720) is N-[5-[4-[[methyl-[(4-pyridin-2-ylphenyl)methyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[[methyl-[(4-pyridin-2-ylphenyl)methyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[[methyl-[(4-pyridin-2-ylphenyl)methyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CN(Cc1ccc(-c2ccccn2)cc1)Cc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1.
What is the InChIKey of N-[5-[4-[[methyl-[(4-pyridin-2-ylphenyl)methyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is SKGHAOQCRIOFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O/c1-35(19-21-8-12-23(13-9-21)26-5-2-3-18-31-26)20-22-10-14-24(15-11-22)27-6-4-7-28-32-30(34-36(27)28)33-29(37)25-16-17-25/h2-15,18,25H,16-17,19-20H2,1H3,(H,33,34,37).
What are the key properties of N-[5-[4-[[methyl-[(4-pyridin-2-ylphenyl)methyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[[methyl-[(4-pyridin-2-ylphenyl)methyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 488.60 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[[methyl-[(4-pyridin-2-ylphenyl)methyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58374720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).