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

C24H24N6O — CID 70240226

IUPACN-[5-[4-[[2-(aminomethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESNCc1ccccc1NCc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
InChIInChI=1S/C24H24N6O/c25-14-19-4-1-2-5-20(19)26-15-16-8-10-17(11-9-16)21-6-3-7-22-27-24(29-30(21)22)28-23(31)18-12-13-18/h1-11,18,26H,12-15,25H2,(H,28,29,31)
InChIKeyBMOOOZQTSNDHRE-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.82
Rot. Bonds7

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

N-[5-[4-[[2-(aminomethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 70240226) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is N-[5-[4-[[2-(aminomethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[[2-(aminomethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID70240226
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC NameN-[5-[4-[[2-(aminomethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESNCc1ccccc1NCc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
InChIInChI=1S/C24H24N6O/c25-14-19-4-1-2-5-20(19)26-15-16-8-10-17(11-9-16)21-6-3-7-22-27-24(29-30(21)22)28-23(31)18-12-13-18/h1-11,18,26H,12-15,25H2,(H,28,29,31)
InChIKeyBMOOOZQTSNDHRE-UHFFFAOYSA-N
XLogP3.82
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[[2-(aminomethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[[2-(aminomethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 70240226) is N-[5-[4-[[2-(aminomethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[[2-(aminomethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[[2-(aminomethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is NCc1ccccc1NCc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1.
What is the InChIKey of N-[5-[4-[[2-(aminomethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is BMOOOZQTSNDHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c25-14-19-4-1-2-5-20(19)26-15-16-8-10-17(11-9-16)21-6-3-7-22-27-24(29-30(21)22)28-23(31)18-12-13-18/h1-11,18,26H,12-15,25H2,(H,28,29,31).
What are the key properties of N-[5-[4-[[2-(aminomethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[[2-(aminomethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 412.50 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[[2-(aminomethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 70240226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).