N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide

C19H19N5O2 — CID 154833134

IUPACN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESO=C(NCC1(O)CCc2ccccc21)c1cn(Cc2ccccn2)nn1
InChIInChI=1S/C19H19N5O2/c25-18(17-12-24(23-22-17)11-15-6-3-4-10-20-15)21-13-19(26)9-8-14-5-1-2-7-16(14)19/h1-7,10,12,26H,8-9,11,13H2,(H,21,25)
InChIKeyANKUDEIDBKXQKJ-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.29
Rot. Bonds5

About N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide (PubChem CID 154833134) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide
PubChem CID154833134
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESO=C(NCC1(O)CCc2ccccc21)c1cn(Cc2ccccn2)nn1
InChIInChI=1S/C19H19N5O2/c25-18(17-12-24(23-22-17)11-15-6-3-4-10-20-15)21-13-19(26)9-8-14-5-1-2-7-16(14)19/h1-7,10,12,26H,8-9,11,13H2,(H,21,25)
InChIKeyANKUDEIDBKXQKJ-UHFFFAOYSA-N
XLogP1.29
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[[1-(pyridin-2-ylmethyl)triazole-4-carbonyl]amino]propanoic acid
CID 119943054
1-[(4-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 53333432
N-[2-(aminomethyl)cyclopentyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide;dihydrochloride
CID 119604139
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 119608152
N-[(1-hydroxycyclohexyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 56881683
N-(pyridin-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 42292618
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-2-carboxamide
CID 71782124
[3-(methylamino)piperidin-1-yl]-[1-(pyridin-2-ylmethyl)triazol-4-yl]methanone
CID 119492333
3-[1-(pyridin-2-ylmethyl)triazol-4-yl]propanoic acid
CID 107460904
methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate
CID 95983100
3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 95983082
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 109481310

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide (CID 154833134) is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide is O=C(NCC1(O)CCc2ccccc21)c1cn(Cc2ccccn2)nn1.
What is the InChIKey of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is ANKUDEIDBKXQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-18(17-12-24(23-22-17)11-15-6-3-4-10-20-15)21-13-19(26)9-8-14-5-1-2-7-16(14)19/h1-7,10,12,26H,8-9,11,13H2,(H,21,25).
What are the key properties of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide?
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 154833134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).