tert-butyl N-[2-[[5-[[3-(diethylamino)propylamino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate

C25H37N5O3 — CID 59225232

IUPACtert-butyl N-[2-[[5-[[3-(diethylamino)propylamino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate
SMILESCCN(CC)CCCNCc1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C25H37N5O3/c1-6-30(7-2)16-10-15-26-17-19-13-14-22(27-18-19)23(31)28-20-11-8-9-12-21(20)29-24(32)33-25(3,4)5/h8-9,11-14,18,26H,6-7,10,15-17H2,1-5H3,(H,28,31)(H,29,32)
InChIKeyDBGWXMUBLLIJAQ-UHFFFAOYSA-N
MW455.60 g/mol
LogP4.50
Rot. Bonds11

About tert-butyl N-[2-[[5-[[3-(diethylamino)propylamino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate

tert-butyl N-[2-[[5-[[3-(diethylamino)propylamino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate (PubChem CID 59225232) has the molecular formula C25H37N5O3 and a molecular weight of 455.60 g/mol. Its IUPAC name is tert-butyl N-[2-[[5-[[3-(diethylamino)propylamino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[5-[[3-(diethylamino)propylamino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate
PubChem CID59225232
Molecular FormulaC25H37N5O3
Molecular Weight455.60 g/mol
Exact Mass455.29
IUPAC Nametert-butyl N-[2-[[5-[[3-(diethylamino)propylamino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate
SMILESCCN(CC)CCCNCc1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C25H37N5O3/c1-6-30(7-2)16-10-15-26-17-19-13-14-22(27-18-19)23(31)28-20-11-8-9-12-21(20)29-24(32)33-25(3,4)5/h8-9,11-14,18,26H,6-7,10,15-17H2,1-5H3,(H,28,31)(H,29,32)
InChIKeyDBGWXMUBLLIJAQ-UHFFFAOYSA-N
XLogP4.50
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[[5-[[3-(diethylamino)propylamino]methyl]pyridine-2-carbonyl]amino]phenyl]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

5-[[2-(diethylamino)ethylamino]methyl]-N-[2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]phenyl]pyridine-2-carboxamide
CID 89119858
tert-butyl N-[2-[[5-[2-(diethylamino)ethyl-ethylcarbamoyl]pyridine-2-carbonyl]amino]phenyl]carbamate
CID 145482012
tert-butyl N-[2-[[5-[[[4-(dimethylamino)phenyl]carbamoyl-(3-hydroxypropyl)amino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate
CID 59225059
tert-butyl N-[2-[[5-[[pentyl(1,3-thiazol-2-ylcarbamoyl)amino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate
CID 145488700
tert-butyl N-[2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]phenyl]carbamate
CID 58930614
tert-butyl N-[2-[[5-[[butyl-[(3,4-difluorophenyl)carbamoyl]amino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate;propane
CID 145488694
tert-butyl N-[2-[[5-[[1,3-benzothiazol-2-ylcarbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate
CID 59224897
tert-butyl N-[2-[[5-[[2-(dimethylamino)ethyl-(2-isocyanoethylcarbamoyl)amino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate
CID 59225011
tert-butyl N-[2-[[5-[[3-morpholin-4-ylpropyl(propylcarbamoyl)amino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate
CID 59224937
tert-butyl N-[2-[[5-[[3-(dimethylamino)propyl-[[(2E,4Z)-hexa-2,4-dien-3-yl]carbamoyl]amino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate
CID 145488592
tert-butyl N-[2-[[5-[[3-(dimethylamino)propyl-(phenacylcarbamoyl)amino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate
CID 59224916
tert-butyl N-[2-[[5-[[2-(dimethylamino)ethyl-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]amino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate
CID 59225124

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[5-[[3-(diethylamino)propylamino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[5-[[3-(diethylamino)propylamino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate (CID 59225232) is tert-butyl N-[2-[[5-[[3-(diethylamino)propylamino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[5-[[3-(diethylamino)propylamino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[5-[[3-(diethylamino)propylamino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate is CCN(CC)CCCNCc1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1.
What is the InChIKey of tert-butyl N-[2-[[5-[[3-(diethylamino)propylamino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate?
The InChIKey is DBGWXMUBLLIJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O3/c1-6-30(7-2)16-10-15-26-17-19-13-14-22(27-18-19)23(31)28-20-11-8-9-12-21(20)29-24(32)33-25(3,4)5/h8-9,11-14,18,26H,6-7,10,15-17H2,1-5H3,(H,28,31)(H,29,32).
What are the key properties of tert-butyl N-[2-[[5-[[3-(diethylamino)propylamino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate?
tert-butyl N-[2-[[5-[[3-(diethylamino)propylamino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate has a molecular weight of 455.60 g/mol, XLogP of 4.50, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[5-[[3-(diethylamino)propylamino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate is sourced from PubChem (CID 59225232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).