[5-chloro-6-[(6-chloropyridine-3-carbonyl)amino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid

C17H15Cl2N3O3 — CID 129111810

IUPAC[5-chloro-6-[(6-chloropyridine-3-carbonyl)amino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
SMILESO=C(O)NC1CCc2c(ccc(NC(=O)c3ccc(Cl)nc3)c2Cl)C1
InChIInChI=1S/C17H15Cl2N3O3/c18-14-6-2-10(8-20-14)16(23)22-13-5-1-9-7-11(21-17(24)25)3-4-12(9)15(13)19/h1-2,5-6,8,11,21H,3-4,7H2,(H,22,23)(H,24,25)
InChIKeyZQFMRNSSFFYABD-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.77
Rot. Bonds3

About [5-chloro-6-[(6-chloropyridine-3-carbonyl)amino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid

[5-chloro-6-[(6-chloropyridine-3-carbonyl)amino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid (PubChem CID 129111810) has the molecular formula C17H15Cl2N3O3 and a molecular weight of 380.23 g/mol. Its IUPAC name is [5-chloro-6-[(6-chloropyridine-3-carbonyl)amino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-chloro-6-[(6-chloropyridine-3-carbonyl)amino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
PubChem CID129111810
Molecular FormulaC17H15Cl2N3O3
Molecular Weight380.23 g/mol
Exact Mass379.05
IUPAC Name[5-chloro-6-[(6-chloropyridine-3-carbonyl)amino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
SMILESO=C(O)NC1CCc2c(ccc(NC(=O)c3ccc(Cl)nc3)c2Cl)C1
InChIInChI=1S/C17H15Cl2N3O3/c18-14-6-2-10(8-20-14)16(23)22-13-5-1-9-7-11(21-17(24)25)3-4-12(9)15(13)19/h1-2,5-6,8,11,21H,3-4,7H2,(H,22,23)(H,24,25)
InChIKeyZQFMRNSSFFYABD-UHFFFAOYSA-N
XLogP3.77
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide
CID 22318688
6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2599141
[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
CID 68553255
6-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-carboxamide
CID 103769566
4-[(6-chloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209667
6-chloro-N-(3-methoxycyclobutyl)pyridine-3-carboxamide
CID 104578722
methyl 4-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617107
6-chloro-N-(5-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 43384926
[6-[(6-ethoxy-3-pyridinyl)carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
CID 129111800
6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 60655184
6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide
CID 22668935
6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
CID 47475855

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[(6-chloropyridine-3-carbonyl)amino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
The IUPAC name of [5-chloro-6-[(6-chloropyridine-3-carbonyl)amino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid (CID 129111810) is [5-chloro-6-[(6-chloropyridine-3-carbonyl)amino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid.
What is the SMILES notation for [5-chloro-6-[(6-chloropyridine-3-carbonyl)amino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
The canonical SMILES for [5-chloro-6-[(6-chloropyridine-3-carbonyl)amino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid is O=C(O)NC1CCc2c(ccc(NC(=O)c3ccc(Cl)nc3)c2Cl)C1.
What is the InChIKey of [5-chloro-6-[(6-chloropyridine-3-carbonyl)amino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
The InChIKey is ZQFMRNSSFFYABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O3/c18-14-6-2-10(8-20-14)16(23)22-13-5-1-9-7-11(21-17(24)25)3-4-12(9)15(13)19/h1-2,5-6,8,11,21H,3-4,7H2,(H,22,23)(H,24,25).
What are the key properties of [5-chloro-6-[(6-chloropyridine-3-carbonyl)amino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
[5-chloro-6-[(6-chloropyridine-3-carbonyl)amino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid has a molecular weight of 380.23 g/mol, XLogP of 3.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[(6-chloropyridine-3-carbonyl)amino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid is sourced from PubChem (CID 129111810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).