tert-butyl N-[4-(6-chloropyridazin-3-yl)-3-pyridinyl]carbamate

C14H15ClN4O2 — CID 177188563

IUPACtert-butyl N-[4-(6-chloropyridazin-3-yl)-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnccc1-c1ccc(Cl)nn1
InChIInChI=1S/C14H15ClN4O2/c1-14(2,3)21-13(20)17-11-8-16-7-6-9(11)10-4-5-12(15)19-18-10/h4-8H,1-3H3,(H,17,20)
InChIKeyJIKXPYVVYAOHIM-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.54
Rot. Bonds2

About tert-butyl N-[4-(6-chloropyridazin-3-yl)-3-pyridinyl]carbamate

tert-butyl N-[4-(6-chloropyridazin-3-yl)-3-pyridinyl]carbamate (PubChem CID 177188563) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is tert-butyl N-[4-(6-chloropyridazin-3-yl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(6-chloropyridazin-3-yl)-3-pyridinyl]carbamate
PubChem CID177188563
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Nametert-butyl N-[4-(6-chloropyridazin-3-yl)-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnccc1-c1ccc(Cl)nn1
InChIInChI=1S/C14H15ClN4O2/c1-14(2,3)21-13(20)17-11-8-16-7-6-9(11)10-4-5-12(15)19-18-10/h4-8H,1-3H3,(H,17,20)
InChIKeyJIKXPYVVYAOHIM-UHFFFAOYSA-N
XLogP3.54
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate
CID 19871466
tert-butyl N-(6-chloropyridazin-3-yl)carbamate
CID 57415766
tert-butyl N-[3-(methylcarbamoyl)-4-pyridinyl]carbamate
CID 58835250
tert-butyl N-[3-(1-chlorocyclopropyl)-4-pyridinyl]carbamate
CID 171497546
tert-butyl N-(2-pyrazin-2-ylphenyl)carbamate
CID 22493234
tert-butyl N-[3-(2-fluoroethyl)-4-pyridinyl]carbamate
CID 86706800
tert-butyl N-[3-(2,2-difluoroethoxy)-4-pyridinyl]carbamate
CID 170730754
tert-butyl N-[3-[(4-methoxybenzoyl)amino]-4-pyridinyl]carbamate
CID 12069537
tert-butyl N-(6-chloro-2-iodo-3-pyridinyl)carbamate
CID 90341107
3-hydroxy-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]pentanoic acid
CID 175230653
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]prop-2-enoate
CID 68898452
tert-butyl N-[4-[(4-amino-3-pyridinyl)amino]phenyl]carbamate
CID 178174217

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(6-chloropyridazin-3-yl)-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[4-(6-chloropyridazin-3-yl)-3-pyridinyl]carbamate (CID 177188563) is tert-butyl N-[4-(6-chloropyridazin-3-yl)-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(6-chloropyridazin-3-yl)-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(6-chloropyridazin-3-yl)-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cnccc1-c1ccc(Cl)nn1.
What is the InChIKey of tert-butyl N-[4-(6-chloropyridazin-3-yl)-3-pyridinyl]carbamate?
The InChIKey is JIKXPYVVYAOHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-14(2,3)21-13(20)17-11-8-16-7-6-9(11)10-4-5-12(15)19-18-10/h4-8H,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-[4-(6-chloropyridazin-3-yl)-3-pyridinyl]carbamate?
tert-butyl N-[4-(6-chloropyridazin-3-yl)-3-pyridinyl]carbamate has a molecular weight of 306.75 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(6-chloropyridazin-3-yl)-3-pyridinyl]carbamate is sourced from PubChem (CID 177188563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).