tert-butyl N-[4-[(2-methyl-3-pyridinyl)amino]-4-oxobutyl]carbamate

C15H23N3O3 — CID 79042869

IUPACtert-butyl N-[4-[(2-methyl-3-pyridinyl)amino]-4-oxobutyl]carbamate
SMILESCc1ncccc1NC(=O)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H23N3O3/c1-11-12(7-5-9-16-11)18-13(19)8-6-10-17-14(20)21-15(2,3)4/h5,7,9H,6,8,10H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyPNOYUWSVECQGRS-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.63
Rot. Bonds5

About tert-butyl N-[4-[(2-methyl-3-pyridinyl)amino]-4-oxobutyl]carbamate

tert-butyl N-[4-[(2-methyl-3-pyridinyl)amino]-4-oxobutyl]carbamate (PubChem CID 79042869) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl N-[4-[(2-methyl-3-pyridinyl)amino]-4-oxobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(2-methyl-3-pyridinyl)amino]-4-oxobutyl]carbamate
PubChem CID79042869
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl N-[4-[(2-methyl-3-pyridinyl)amino]-4-oxobutyl]carbamate
SMILESCc1ncccc1NC(=O)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H23N3O3/c1-11-12(7-5-9-16-11)18-13(19)8-6-10-17-14(20)21-15(2,3)4/h5,7,9H,6,8,10H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyPNOYUWSVECQGRS-UHFFFAOYSA-N
XLogP2.63
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[4-[(2-methyl-3-pyridinyl)amino]-4-oxobutyl]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

tert-butyl N-[4-oxo-4-(quinolin-8-ylamino)butyl]carbamate
CID 51217671
tert-butyl N-[4-(2-chloroanilino)-4-oxobutyl]carbamate
CID 9032052
4-chloro-N-(2-methyl-3-pyridinyl)butanamide
CID 79042686
3-amino-N-(2-methyl-3-pyridinyl)propanamide
CID 79042008
tert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate
CID 102540666
tert-butyl N-[4-oxo-4-(2-piperidin-1-ylanilino)butyl]carbamate
CID 60620853
tert-butyl N-[2-oxo-2-[2-(4-phenoxybutanoylamino)anilino]ethyl]carbamate
CID 108917353
tert-butyl N-[4-(3,4-dimethylanilino)-4-oxobutyl]carbamate
CID 9138446
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid
CID 156529146
tert-butyl N-[4-(4-methyl-3-sulfamoylanilino)-4-oxobutyl]carbamate
CID 55408911
tert-butyl N-[4-[2-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-4-oxobutyl]carbamate
CID 102541910
N-(2-methyl-3-pyridinyl)-2-sulfanylacetamide
CID 79044042

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(2-methyl-3-pyridinyl)amino]-4-oxobutyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(2-methyl-3-pyridinyl)amino]-4-oxobutyl]carbamate (CID 79042869) is tert-butyl N-[4-[(2-methyl-3-pyridinyl)amino]-4-oxobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(2-methyl-3-pyridinyl)amino]-4-oxobutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(2-methyl-3-pyridinyl)amino]-4-oxobutyl]carbamate is Cc1ncccc1NC(=O)CCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[(2-methyl-3-pyridinyl)amino]-4-oxobutyl]carbamate?
The InChIKey is PNOYUWSVECQGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11-12(7-5-9-16-11)18-13(19)8-6-10-17-14(20)21-15(2,3)4/h5,7,9H,6,8,10H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of tert-butyl N-[4-[(2-methyl-3-pyridinyl)amino]-4-oxobutyl]carbamate?
tert-butyl N-[4-[(2-methyl-3-pyridinyl)amino]-4-oxobutyl]carbamate has a molecular weight of 293.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(2-methyl-3-pyridinyl)amino]-4-oxobutyl]carbamate is sourced from PubChem (CID 79042869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).