N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C15H16N4O3 — CID 111482211

IUPACN-[2-(furan-2-yl)-2-hydroxypropyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1nnc2ccc(C(=O)NCC(C)(O)c3ccco3)cn12
InChIInChI=1S/C15H16N4O3/c1-10-17-18-13-6-5-11(8-19(10)13)14(20)16-9-15(2,21)12-4-3-7-22-12/h3-8,21H,9H2,1-2H3,(H,16,20)
InChIKeyPVNKPDRIOWHCDX-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.27
Rot. Bonds4

About N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 111482211) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxypropyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID111482211
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-[2-(furan-2-yl)-2-hydroxypropyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1nnc2ccc(C(=O)NCC(C)(O)c3ccco3)cn12
InChIInChI=1S/C15H16N4O3/c1-10-17-18-13-6-5-11(8-19(10)13)14(20)16-9-15(2,21)12-4-3-7-22-12/h3-8,21H,9H2,1-2H3,(H,16,20)
InChIKeyPVNKPDRIOWHCDX-UHFFFAOYSA-N
XLogP1.27
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111481180
N-(2-ethyl-2-hydroxybutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111483300
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-4-phenylbenzamide
CID 95983664
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-nitrobenzamide
CID 111482013
N-[2-(furan-2-yl)-2-hydroxypropyl]thiophene-3-carboxamide
CID 71782534
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111482264
6-(azepan-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide
CID 111482284
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-(imidazol-1-ylmethyl)benzamide
CID 111482745
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782549
2,6-dichloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71975267
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-pyridin-3-yloxybenzamide
CID 111481964

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 111482211) is N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cc1nnc2ccc(C(=O)NCC(C)(O)c3ccco3)cn12.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is PVNKPDRIOWHCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-10-17-18-13-6-5-11(8-19(10)13)14(20)16-9-15(2,21)12-4-3-7-22-12/h3-8,21H,9H2,1-2H3,(H,16,20).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 111482211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).