tert-butyl N-[(6-chloropyridine-3-carbonyl)amino]carbamate

C11H14ClN3O3 — CID 16654125

IUPACtert-butyl N-[(6-chloropyridine-3-carbonyl)amino]carbamate
SMILESCC(C)(C)OC(=O)NNC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H14ClN3O3/c1-11(2,3)18-10(17)15-14-9(16)7-4-5-8(12)13-6-7/h4-6H,1-3H3,(H,14,16)(H,15,17)
InChIKeyMSSLTJRDRVQRQW-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.90
Rot. Bonds1

About tert-butyl N-[(6-chloropyridine-3-carbonyl)amino]carbamate

tert-butyl N-[(6-chloropyridine-3-carbonyl)amino]carbamate (PubChem CID 16654125) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is tert-butyl N-[(6-chloropyridine-3-carbonyl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-chloropyridine-3-carbonyl)amino]carbamate
PubChem CID16654125
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Nametert-butyl N-[(6-chloropyridine-3-carbonyl)amino]carbamate
SMILESCC(C)(C)OC(=O)NNC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H14ClN3O3/c1-11(2,3)18-10(17)15-14-9(16)7-4-5-8(12)13-6-7/h4-6H,1-3H3,(H,14,16)(H,15,17)
InChIKeyMSSLTJRDRVQRQW-UHFFFAOYSA-N
XLogP1.90
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[4-(trifluoromethyl)benzoyl]amino]carbamate
CID 11449558
tert-butyl N-[(2-chloro-6-methylpyridine-4-carbonyl)amino]carbamate
CID 122621219
6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 22336258
6-chloro-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide
CID 9479307
tert-butyl N-[[4-(aminooxymethyl)benzoyl]amino]carbamate
CID 139291338
tert-butyl N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate
CID 112639562
tert-butyl N-(quinoline-6-carbonylamino)carbamate
CID 155213246
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
6-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide
CID 18287311
tert-butyl N-[(3-amino-4-hydroxybenzoyl)amino]carbamate
CID 67765806
3-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 64670517
tert-butyl N-[[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzoyl]amino]carbamate
CID 123502017

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-chloropyridine-3-carbonyl)amino]carbamate?
The IUPAC name of tert-butyl N-[(6-chloropyridine-3-carbonyl)amino]carbamate (CID 16654125) is tert-butyl N-[(6-chloropyridine-3-carbonyl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(6-chloropyridine-3-carbonyl)amino]carbamate?
The canonical SMILES for tert-butyl N-[(6-chloropyridine-3-carbonyl)amino]carbamate is CC(C)(C)OC(=O)NNC(=O)c1ccc(Cl)nc1.
What is the InChIKey of tert-butyl N-[(6-chloropyridine-3-carbonyl)amino]carbamate?
The InChIKey is MSSLTJRDRVQRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-11(2,3)18-10(17)15-14-9(16)7-4-5-8(12)13-6-7/h4-6H,1-3H3,(H,14,16)(H,15,17).
What are the key properties of tert-butyl N-[(6-chloropyridine-3-carbonyl)amino]carbamate?
tert-butyl N-[(6-chloropyridine-3-carbonyl)amino]carbamate has a molecular weight of 271.70 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-chloropyridine-3-carbonyl)amino]carbamate is sourced from PubChem (CID 16654125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).