N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide

C17H22N6O — CID 167964241

IUPACN-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide
SMILESCc1c(NC(=O)C23CCCN(CC2)C3)nnn1Cc1ccncc1
InChIInChI=1S/C17H22N6O/c1-13-15(20-21-23(13)11-14-3-7-18-8-4-14)19-16(24)17-5-2-9-22(12-17)10-6-17/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,19,24)
InChIKeyMSNDNAQJSFBFDV-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.45
Rot. Bonds4

About N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide

N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide (PubChem CID 167964241) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide
PubChem CID167964241
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC NameN-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide
SMILESCc1c(NC(=O)C23CCCN(CC2)C3)nnn1Cc1ccncc1
InChIInChI=1S/C17H22N6O/c1-13-15(20-21-23(13)11-14-3-7-18-8-4-14)19-16(24)17-5-2-9-22(12-17)10-6-17/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,19,24)
InChIKeyMSNDNAQJSFBFDV-UHFFFAOYSA-N
XLogP1.45
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]-1-azabicyclo[3.2.1]octane-5-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

N-[4-(pyridin-4-ylmethoxy)phenyl]-1-azabicyclo[3.2.1]octane-5-carboxamide
CID 167958227
5-[(dimethylamino)methyl]-N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]furan-2-carboxamide
CID 154846116
tert-butyl N-[1-[(4-cyanophenyl)methyl]-5-methyltriazol-4-yl]carbamate
CID 145209201
1-tert-butyl-5-cyclopropyl-N-[5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]pyrazole-3-carboxamide
CID 100654146
5-methyl-N-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)triazole-4-carboxamide
CID 136541846
1,2-dimethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 91273952
2-(methoxymethyl)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 154761342
3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazole-4-carboxylic acid
CID 43565537
3-methyl-1-(pyridin-4-ylmethyl)piperidin-3-ol
CID 70987405
2,2-dichloro-1-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 47101185
(3S)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92580024
3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 72881029

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide?
The IUPAC name of N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide (CID 167964241) is N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide.
What is the SMILES notation for N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide?
The canonical SMILES for N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide is Cc1c(NC(=O)C23CCCN(CC2)C3)nnn1Cc1ccncc1.
What is the InChIKey of N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide?
The InChIKey is MSNDNAQJSFBFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-13-15(20-21-23(13)11-14-3-7-18-8-4-14)19-16(24)17-5-2-9-22(12-17)10-6-17/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,19,24).
What are the key properties of N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide?
N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide is sourced from PubChem (CID 167964241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).