tert-butyl N-[4-oxo-4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butylamino]butyl]carbamate

C19H29N5O3 — CID 60614861

IUPACtert-butyl N-[4-oxo-4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butylamino]butyl]carbamate
SMILESCCCC(NC(=O)CCCNC(=O)OC(C)(C)C)c1nnc2ccccn12
InChIInChI=1S/C19H29N5O3/c1-5-9-14(17-23-22-15-10-6-7-13-24(15)17)21-16(25)11-8-12-20-18(26)27-19(2,3)4/h6-7,10,13-14H,5,8-9,11-12H2,1-4H3,(H,20,26)(H,21,25)
InChIKeyGJDGACLJUFCROE-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.99
Rot. Bonds8

About tert-butyl N-[4-oxo-4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butylamino]butyl]carbamate

tert-butyl N-[4-oxo-4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butylamino]butyl]carbamate (PubChem CID 60614861) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is tert-butyl N-[4-oxo-4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butylamino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-oxo-4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butylamino]butyl]carbamate
PubChem CID60614861
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Nametert-butyl N-[4-oxo-4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butylamino]butyl]carbamate
SMILESCCCC(NC(=O)CCCNC(=O)OC(C)(C)C)c1nnc2ccccn12
InChIInChI=1S/C19H29N5O3/c1-5-9-14(17-23-22-15-10-6-7-13-24(15)17)21-16(25)11-8-12-20-18(26)27-19(2,3)4/h6-7,10,13-14H,5,8-9,11-12H2,1-4H3,(H,20,26)(H,21,25)
InChIKeyGJDGACLJUFCROE-UHFFFAOYSA-N
XLogP2.99
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[4-oxo-4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butylamino]butyl]carbamate 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

3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide
CID 51103792
1-ethyl-3-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea
CID 95317728
4-(methylamino)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide
CID 119837156
tert-butyl N-[4-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]-4-oxobutyl]carbamate
CID 60613145
1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 86876901
4-(cyclohexylcarbamoylamino)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide
CID 55537152
tert-butyl N-[4-(hexan-2-ylamino)-4-oxobutyl]carbamate
CID 62198577
4-hydroxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide
CID 79200415
tert-butyl N-[3-[[N'-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111887028
tert-butyl N-[3-[[ethylamino-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methylidene]amino]propyl]carbamate
CID 111886225
N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-phenylacetamide
CID 42652598
1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
CID 86876885

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-oxo-4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butylamino]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-oxo-4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butylamino]butyl]carbamate (CID 60614861) is tert-butyl N-[4-oxo-4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butylamino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-oxo-4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butylamino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-oxo-4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butylamino]butyl]carbamate is CCCC(NC(=O)CCCNC(=O)OC(C)(C)C)c1nnc2ccccn12.
What is the InChIKey of tert-butyl N-[4-oxo-4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butylamino]butyl]carbamate?
The InChIKey is GJDGACLJUFCROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-5-9-14(17-23-22-15-10-6-7-13-24(15)17)21-16(25)11-8-12-20-18(26)27-19(2,3)4/h6-7,10,13-14H,5,8-9,11-12H2,1-4H3,(H,20,26)(H,21,25).
What are the key properties of tert-butyl N-[4-oxo-4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butylamino]butyl]carbamate?
tert-butyl N-[4-oxo-4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butylamino]butyl]carbamate has a molecular weight of 375.47 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-oxo-4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butylamino]butyl]carbamate is sourced from PubChem (CID 60614861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).