N-[5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarboxylic acid

C21H23N5O3 — CID 172863039

IUPACN-[5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarboxylic acid
SMILESNCc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1.O=C(O)C1CC1
InChIInChI=1S/C17H17N5O.C4H6O2/c18-10-11-4-6-12(7-5-11)14-2-1-3-15-19-17(21-22(14)15)20-16(23)13-8-9-13;5-4(6)3-1-2-3/h1-7,13H,8-10,18H2,(H,20,21,23);3H,1-2H2,(H,5,6)
InChIKeyZPOJEEXEFDJAGU-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.68
Rot. Bonds5

About N-[5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarboxylic acid

N-[5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarboxylic acid (PubChem CID 172863039) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarboxylic acid.

Molecular Properties

Compound NameN-[5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarboxylic acid
PubChem CID172863039
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-[5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarboxylic acid
SMILESNCc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1.O=C(O)C1CC1
InChIInChI=1S/C17H17N5O.C4H6O2/c18-10-11-4-6-12(7-5-11)14-2-1-3-15-19-17(21-22(14)15)20-16(23)13-8-9-13;5-4(6)3-1-2-3/h1-7,13H,8-10,18H2,(H,20,21,23);3H,1-2H2,(H,5,6)
InChIKeyZPOJEEXEFDJAGU-UHFFFAOYSA-N
XLogP2.68
TPSA122.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarboxylic acid?
The IUPAC name of N-[5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarboxylic acid (CID 172863039) is N-[5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarboxylic acid.
What is the SMILES notation for N-[5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarboxylic acid?
The canonical SMILES for N-[5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarboxylic acid is NCc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1.O=C(O)C1CC1.
What is the InChIKey of N-[5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarboxylic acid?
The InChIKey is ZPOJEEXEFDJAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O.C4H6O2/c18-10-11-4-6-12(7-5-11)14-2-1-3-15-19-17(21-22(14)15)20-16(23)13-8-9-13;5-4(6)3-1-2-3/h1-7,13H,8-10,18H2,(H,20,21,23);3H,1-2H2,(H,5,6).
What are the key properties of N-[5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarboxylic acid?
N-[5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarboxylic acid has a molecular weight of 393.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarboxylic acid is sourced from PubChem (CID 172863039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).