4-[[5-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide

C20H23N5O2 — CID 59276674

IUPAC4-[[5-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2nc3cccc(C[C@H]4CC[C@@H](O)C4)n3n2)cc1
InChIInChI=1S/C20H23N5O2/c1-21-19(27)14-6-8-15(9-7-14)22-20-23-18-4-2-3-16(25(18)24-20)11-13-5-10-17(26)12-13/h2-4,6-9,13,17,26H,5,10-12H2,1H3,(H,21,27)(H,22,24)/t13-,17-/m1/s1
InChIKeyRFFVRWSLEUFNIV-CXAGYDPISA-N
MW365.44 g/mol
LogP2.54
Rot. Bonds5

About 4-[[5-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide

4-[[5-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide (PubChem CID 59276674) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-[[5-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[5-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide
PubChem CID59276674
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name4-[[5-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2nc3cccc(C[C@H]4CC[C@@H](O)C4)n3n2)cc1
InChIInChI=1S/C20H23N5O2/c1-21-19(27)14-6-8-15(9-7-14)22-20-23-18-4-2-3-16(25(18)24-20)11-13-5-10-17(26)12-13/h2-4,6-9,13,17,26H,5,10-12H2,1H3,(H,21,27)(H,22,24)/t13-,17-/m1/s1
InChIKeyRFFVRWSLEUFNIV-CXAGYDPISA-N
XLogP2.54
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[5-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide with MolForge

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Related Compounds

N-methyl-4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide
CID 141394362
4-[(5-imidazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methylbenzamide
CID 59276323
4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide
CID 44624093
tert-butyl 4-[2-[2-[4-(methylcarbamoyl)anilino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]ethyl]piperidine-1-carboxylate
CID 68588599
3-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]cyclopentan-1-ol
CID 114148443
N-(cyclohexylmethyl)-4-[[5-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70912615
trans-(1S,3S)-3-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclopentan-1-ol
CID 67294213
cis-(1R,3S)-3-[[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]cyclopentan-1-ol
CID 46183283
4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 59186371
4-[[5-(4-methylsulfinylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
CID 143916178
3-[(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methyl]benzamide
CID 59276664
4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
CID 59186171

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[5-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide (CID 59276674) is 4-[[5-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[5-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[5-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide is CNC(=O)c1ccc(Nc2nc3cccc(C[C@H]4CC[C@@H](O)C4)n3n2)cc1.
What is the InChIKey of 4-[[5-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide?
The InChIKey is RFFVRWSLEUFNIV-CXAGYDPISA-N. The full InChI is InChI=1S/C20H23N5O2/c1-21-19(27)14-6-8-15(9-7-14)22-20-23-18-4-2-3-16(25(18)24-20)11-13-5-10-17(26)12-13/h2-4,6-9,13,17,26H,5,10-12H2,1H3,(H,21,27)(H,22,24)/t13-,17-/m1/s1.
What are the key properties of 4-[[5-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide?
4-[[5-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide has a molecular weight of 365.44 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 59276674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).