N-(2-amino-1-naphthalen-2-ylethyl)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C20H23N5O — CID 167942312

IUPACN-(2-amino-1-naphthalen-2-ylethyl)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1nnc2n1CC(C(=O)NC(CN)c1ccc3ccccc3c1)CC2
InChIInChI=1S/C20H23N5O/c1-13-23-24-19-9-8-17(12-25(13)19)20(26)22-18(11-21)16-7-6-14-4-2-3-5-15(14)10-16/h2-7,10,17-18H,8-9,11-12,21H2,1H3,(H,22,26)
InChIKeyGXDIVOLRMJWOFL-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.12
Rot. Bonds4

About N-(2-amino-1-naphthalen-2-ylethyl)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-(2-amino-1-naphthalen-2-ylethyl)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 167942312) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylethyl)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID167942312
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1nnc2n1CC(C(=O)NC(CN)c1ccc3ccccc3c1)CC2
InChIInChI=1S/C20H23N5O/c1-13-23-24-19-9-8-17(12-25(13)19)20(26)22-18(11-21)16-7-6-14-4-2-3-5-15(14)10-16/h2-7,10,17-18H,8-9,11-12,21H2,1H3,(H,22,26)
InChIKeyGXDIVOLRMJWOFL-UHFFFAOYSA-N
XLogP2.12
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-amino-1-naphthalen-2-ylethyl)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-(2-amino-1-naphthalen-2-ylethyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 120568002
1-N-(2-amino-1-naphthalen-2-ylethyl)cyclohexane-1,3-dicarboxamide
CID 167749206
N-(2-amino-1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride
CID 120567582
N-(2-amino-1-naphthalen-2-ylethyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 120567780
N-(2-amino-1-naphthalen-2-ylethyl)oxolane-3-carboxamide
CID 120567741
(2S)-N-(2-amino-1-naphthalen-2-ylethyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 120567464
N-(2-amino-1-naphthalen-2-ylethyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 120567823
3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 75386997
N-(2-amino-1-naphthalen-2-ylethyl)-3,4-dihydro-1H-isochromene-3-carboxamide;hydrochloride
CID 155970724
N-(2-amino-1-naphthalen-2-ylethyl)-4-benzylmorpholine-2-carboxamide;dihydrochloride
CID 120567890
N-(2-amino-1-naphthalen-2-ylethyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120597776
3-amino-N-(2-amino-1-naphthalen-2-ylethyl)propanamide
CID 122081221

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 167942312) is N-(2-amino-1-naphthalen-2-ylethyl)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cc1nnc2n1CC(C(=O)NC(CN)c1ccc3ccccc3c1)CC2.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is GXDIVOLRMJWOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-23-24-19-9-8-17(12-25(13)19)20(26)22-18(11-21)16-7-6-14-4-2-3-5-15(14)10-16/h2-7,10,17-18H,8-9,11-12,21H2,1H3,(H,22,26).
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-(2-amino-1-naphthalen-2-ylethyl)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-naphthalen-2-ylethyl)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 167942312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).