tert-butyl N-butyl-N-[4-[3-[3-[(6-hydrazinylpyridine-3-carbonyl)amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate

C35H63N7O7 — CID 123610579

IUPACtert-butyl N-butyl-N-[4-[3-[3-[(6-hydrazinylpyridine-3-carbonyl)amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate
SMILESCCCCN(CCCCN(CCCN(CCCNC(=O)c1ccc(NN)nc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C35H63N7O7/c1-11-12-20-40(30(44)47-33(2,3)4)21-13-14-22-41(31(45)48-34(5,6)7)24-16-25-42(32(46)49-35(8,9)10)23-15-19-37-29(43)27-17-18-28(39-36)38-26-27/h17-18,26H,11-16,19-25,36H2,1-10H3,(H,37,43)(H,38,39)
InChIKeyNPOLXDCLKPYWPF-UHFFFAOYSA-N
MW693.93 g/mol
LogP6.17
Rot. Bonds18

About tert-butyl N-butyl-N-[4-[3-[3-[(6-hydrazinylpyridine-3-carbonyl)amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate

tert-butyl N-butyl-N-[4-[3-[3-[(6-hydrazinylpyridine-3-carbonyl)amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate (PubChem CID 123610579) has the molecular formula C35H63N7O7 and a molecular weight of 693.93 g/mol. Its IUPAC name is tert-butyl N-butyl-N-[4-[3-[3-[(6-hydrazinylpyridine-3-carbonyl)amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-butyl-N-[4-[3-[3-[(6-hydrazinylpyridine-3-carbonyl)amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate
PubChem CID123610579
Molecular FormulaC35H63N7O7
Molecular Weight693.93 g/mol
Exact Mass693.48
IUPAC Nametert-butyl N-butyl-N-[4-[3-[3-[(6-hydrazinylpyridine-3-carbonyl)amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate
SMILESCCCCN(CCCCN(CCCN(CCCNC(=O)c1ccc(NN)nc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C35H63N7O7/c1-11-12-20-40(30(44)47-33(2,3)4)21-13-14-22-41(31(45)48-34(5,6)7)24-16-25-42(32(46)49-35(8,9)10)23-15-19-37-29(43)27-17-18-28(39-36)38-26-27/h17-18,26H,11-16,19-25,36H2,1-10H3,(H,37,43)(H,38,39)
InChIKeyNPOLXDCLKPYWPF-UHFFFAOYSA-N
XLogP6.17
TPSA168.66 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.93
LogP ≤ 56.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-butyl-N-[4-[3-[3-[(6-hydrazinylpyridine-3-carbonyl)amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate with MolForge

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Related Compounds

benzyl 5-[4-[3-[(6-hydrazinylpyridine-3-carbonyl)amino]propyl-phenylmethoxycarbonylamino]butyl-phenylmethoxycarbonylamino]pentanoate
CID 159377649
N-ethyl-6-hydrazinylpyridine-3-carboxamide
CID 20734038
N-[3-(diethylamino)propyl]-6-(ethylamino)pyridine-3-carboxamide
CID 62165858
6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109151550
6-hydrazinyl-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 62249442
6-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109153720
tert-butyl N-[[5-[2-(diethylamino)ethylcarbamoyl]-2-pyridinyl]amino]carbamate
CID 10991747
tert-butyl N,N-dipentylcarbamate
CID 65142743
6-hydrazinyl-N-(6-hydroxy-2,2-dimethylhexyl)pyridine-3-carboxamide
CID 91459914
N-ethyl-6-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 62236418
6-hydrazinyl-N,N-bis(3-trimethoxysilylpropyl)pyridine-3-carboxamide;silane
CID 158812523
tert-butyl N-(3-aminopropyl)-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butyl]amino]propyl]carbamate
CID 11411236

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-butyl-N-[4-[3-[3-[(6-hydrazinylpyridine-3-carbonyl)amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate?
The IUPAC name of tert-butyl N-butyl-N-[4-[3-[3-[(6-hydrazinylpyridine-3-carbonyl)amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate (CID 123610579) is tert-butyl N-butyl-N-[4-[3-[3-[(6-hydrazinylpyridine-3-carbonyl)amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-butyl-N-[4-[3-[3-[(6-hydrazinylpyridine-3-carbonyl)amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-butyl-N-[4-[3-[3-[(6-hydrazinylpyridine-3-carbonyl)amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate is CCCCN(CCCCN(CCCN(CCCNC(=O)c1ccc(NN)nc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-butyl-N-[4-[3-[3-[(6-hydrazinylpyridine-3-carbonyl)amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate?
The InChIKey is NPOLXDCLKPYWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H63N7O7/c1-11-12-20-40(30(44)47-33(2,3)4)21-13-14-22-41(31(45)48-34(5,6)7)24-16-25-42(32(46)49-35(8,9)10)23-15-19-37-29(43)27-17-18-28(39-36)38-26-27/h17-18,26H,11-16,19-25,36H2,1-10H3,(H,37,43)(H,38,39).
What are the key properties of tert-butyl N-butyl-N-[4-[3-[3-[(6-hydrazinylpyridine-3-carbonyl)amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate?
tert-butyl N-butyl-N-[4-[3-[3-[(6-hydrazinylpyridine-3-carbonyl)amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate has a molecular weight of 693.93 g/mol, XLogP of 6.17, 18 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-butyl-N-[4-[3-[3-[(6-hydrazinylpyridine-3-carbonyl)amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate is sourced from PubChem (CID 123610579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).