N-cyclopropyl-4-[[8-[6-(hydroxymethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

C22H20N6O2 — CID 70929643

IUPACN-cyclopropyl-4-[[8-[6-(hydroxymethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESO=C(NC1CC1)c1ccc(Nc2nc3c(-c4ccc(CO)nc4)cccn3n2)cc1
InChIInChI=1S/C22H20N6O2/c29-13-18-8-5-15(12-23-18)19-2-1-11-28-20(19)26-22(27-28)25-17-6-3-14(4-7-17)21(30)24-16-9-10-16/h1-8,11-12,16,29H,9-10,13H2,(H,24,30)(H,25,27)
InChIKeyZIXXUBHMRCHCHN-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.92
Rot. Bonds6

About N-cyclopropyl-4-[[8-[6-(hydroxymethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

N-cyclopropyl-4-[[8-[6-(hydroxymethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 70929643) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-cyclopropyl-4-[[8-[6-(hydroxymethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[8-[6-(hydroxymethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
PubChem CID70929643
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC NameN-cyclopropyl-4-[[8-[6-(hydroxymethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESO=C(NC1CC1)c1ccc(Nc2nc3c(-c4ccc(CO)nc4)cccn3n2)cc1
InChIInChI=1S/C22H20N6O2/c29-13-18-8-5-15(12-23-18)19-2-1-11-28-20(19)26-22(27-28)25-17-6-3-14(4-7-17)21(30)24-16-9-10-16/h1-8,11-12,16,29H,9-10,13H2,(H,24,30)(H,25,27)
InChIKeyZIXXUBHMRCHCHN-UHFFFAOYSA-N
XLogP2.92
TPSA104.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-4-[[8-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929524
N-cyclopropyl-4-[[8-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929537
ethane;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;propane
CID 143916044
N-cyclopropyl-4-[[8-[4-(2-morpholin-4-ylpropan-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929446
N-cyclohexyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44553302
N-cyclopropyl-4-[[8-[4-(1-morpholin-4-ylcyclopropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929475
N-cyclopropyl-4-[[8-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929692
N-cyclopropyl-4-[[8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929460
N-cyclopropyl-2-hydroxy-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44623824
4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
CID 59198981
N-(2-hydroxyethyl)-4-[2-[4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 70929450
4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propan-2-ylbenzamide
CID 44623348

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[8-[6-(hydroxymethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-[[8-[6-(hydroxymethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 70929643) is N-cyclopropyl-4-[[8-[6-(hydroxymethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[8-[6-(hydroxymethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[8-[6-(hydroxymethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is O=C(NC1CC1)c1ccc(Nc2nc3c(-c4ccc(CO)nc4)cccn3n2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[8-[6-(hydroxymethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The InChIKey is ZIXXUBHMRCHCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c29-13-18-8-5-15(12-23-18)19-2-1-11-28-20(19)26-22(27-28)25-17-6-3-14(4-7-17)21(30)24-16-9-10-16/h1-8,11-12,16,29H,9-10,13H2,(H,24,30)(H,25,27).
What are the key properties of N-cyclopropyl-4-[[8-[6-(hydroxymethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
N-cyclopropyl-4-[[8-[6-(hydroxymethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 400.44 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[8-[6-(hydroxymethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 70929643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).