tert-butyl N-[2-[[5-[2-(diethylamino)ethyl-ethylcarbamoyl]pyridine-2-carbonyl]amino]phenyl]carbamate

C26H37N5O4 — CID 145482012

IUPACtert-butyl N-[2-[[5-[2-(diethylamino)ethyl-ethylcarbamoyl]pyridine-2-carbonyl]amino]phenyl]carbamate
SMILESCCN(CC)CCN(CC)C(=O)c1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C26H37N5O4/c1-7-30(8-2)16-17-31(9-3)24(33)19-14-15-22(27-18-19)23(32)28-20-12-10-11-13-21(20)29-25(34)35-26(4,5)6/h10-15,18H,7-9,16-17H2,1-6H3,(H,28,32)(H,29,34)
InChIKeyLXAMQEKPPYCEDP-UHFFFAOYSA-N
MW483.61 g/mol
LogP4.48
Rot. Bonds10

About tert-butyl N-[2-[[5-[2-(diethylamino)ethyl-ethylcarbamoyl]pyridine-2-carbonyl]amino]phenyl]carbamate

tert-butyl N-[2-[[5-[2-(diethylamino)ethyl-ethylcarbamoyl]pyridine-2-carbonyl]amino]phenyl]carbamate (PubChem CID 145482012) has the molecular formula C26H37N5O4 and a molecular weight of 483.61 g/mol. Its IUPAC name is tert-butyl N-[2-[[5-[2-(diethylamino)ethyl-ethylcarbamoyl]pyridine-2-carbonyl]amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[5-[2-(diethylamino)ethyl-ethylcarbamoyl]pyridine-2-carbonyl]amino]phenyl]carbamate
PubChem CID145482012
Molecular FormulaC26H37N5O4
Molecular Weight483.61 g/mol
Exact Mass483.28
IUPAC Nametert-butyl N-[2-[[5-[2-(diethylamino)ethyl-ethylcarbamoyl]pyridine-2-carbonyl]amino]phenyl]carbamate
SMILESCCN(CC)CCN(CC)C(=O)c1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C26H37N5O4/c1-7-30(8-2)16-17-31(9-3)24(33)19-14-15-22(27-18-19)23(32)28-20-12-10-11-13-21(20)29-25(34)35-26(4,5)6/h10-15,18H,7-9,16-17H2,1-6H3,(H,28,32)(H,29,34)
InChIKeyLXAMQEKPPYCEDP-UHFFFAOYSA-N
XLogP4.48
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-[[5-[[3-(diethylamino)propylamino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate
CID 59225232
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-(dimethylamino)ethyl-(2-isocyanoethylcarbamoyl)amino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate
CID 59225011
tert-butyl N-[2-[[5-[[2-(dimethylamino)ethyl-(pyridin-3-ylcarbamoyl)amino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate
CID 59225000
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
4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
CID 68734535
tert-butyl N-[2-[[5-[[butyl-[(3,4-difluorophenyl)carbamoyl]amino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate;propane
CID 145488694
tert-butyl N-[[5-[2-(diethylamino)ethylcarbamoyl]-2-pyridinyl]amino]carbamate
CID 10991747
tert-butyl N-[2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]phenyl]carbamate
CID 58930614
5-[[2-(dimethylamino)ethyl-[1-(propylamino)ethenyl]amino]methyl]-N-[2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]phenyl]pyridine-2-carboxamide
CID 89124274
tert-butyl N-[2-[[5-[[pentyl(1,3-thiazol-2-ylcarbamoyl)amino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[5-[2-(diethylamino)ethyl-ethylcarbamoyl]pyridine-2-carbonyl]amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[5-[2-(diethylamino)ethyl-ethylcarbamoyl]pyridine-2-carbonyl]amino]phenyl]carbamate (CID 145482012) is tert-butyl N-[2-[[5-[2-(diethylamino)ethyl-ethylcarbamoyl]pyridine-2-carbonyl]amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[5-[2-(diethylamino)ethyl-ethylcarbamoyl]pyridine-2-carbonyl]amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[5-[2-(diethylamino)ethyl-ethylcarbamoyl]pyridine-2-carbonyl]amino]phenyl]carbamate is CCN(CC)CCN(CC)C(=O)c1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1.
What is the InChIKey of tert-butyl N-[2-[[5-[2-(diethylamino)ethyl-ethylcarbamoyl]pyridine-2-carbonyl]amino]phenyl]carbamate?
The InChIKey is LXAMQEKPPYCEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O4/c1-7-30(8-2)16-17-31(9-3)24(33)19-14-15-22(27-18-19)23(32)28-20-12-10-11-13-21(20)29-25(34)35-26(4,5)6/h10-15,18H,7-9,16-17H2,1-6H3,(H,28,32)(H,29,34).
What are the key properties of tert-butyl N-[2-[[5-[2-(diethylamino)ethyl-ethylcarbamoyl]pyridine-2-carbonyl]amino]phenyl]carbamate?
tert-butyl N-[2-[[5-[2-(diethylamino)ethyl-ethylcarbamoyl]pyridine-2-carbonyl]amino]phenyl]carbamate has a molecular weight of 483.61 g/mol, XLogP of 4.48, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[5-[2-(diethylamino)ethyl-ethylcarbamoyl]pyridine-2-carbonyl]amino]phenyl]carbamate is sourced from PubChem (CID 145482012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).