ethyl N-[2-amino-6-[(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]pyridin-1-ium-3-yl]carbamate chloride

C19H25ClN4O2 — CID 136821511

IUPACethyl N-[2-amino-6-[(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]pyridin-1-ium-3-yl]carbamate chloride
SMILESCCOC(=O)Nc1ccc(NC2CCc3cc(C)cc(C)c32)[nH+]c1N.[Cl-]
InChIInChI=1S/C19H24N4O2.ClH/c1-4-25-19(24)22-15-7-8-16(23-18(15)20)21-14-6-5-13-10-11(2)9-12(3)17(13)14;/h7-10,14H,4-6H2,1-3H3,(H,22,24)(H3,20,21,23);1H
InChIKeyXSAFCXBRZYFNTQ-UHFFFAOYSA-N
MW376.89 g/mol
LogP0.37
Rot. Bonds4

About ethyl N-[2-amino-6-[(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]pyridin-1-ium-3-yl]carbamate chloride

ethyl N-[2-amino-6-[(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]pyridin-1-ium-3-yl]carbamate chloride (PubChem CID 136821511) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is ethyl N-[2-amino-6-[(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]pyridin-1-ium-3-yl]carbamate chloride.

Molecular Properties

Compound Nameethyl N-[2-amino-6-[(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]pyridin-1-ium-3-yl]carbamate chloride
PubChem CID136821511
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Nameethyl N-[2-amino-6-[(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]pyridin-1-ium-3-yl]carbamate chloride
SMILESCCOC(=O)Nc1ccc(NC2CCc3cc(C)cc(C)c32)[nH+]c1N.[Cl-]
InChIInChI=1S/C19H24N4O2.ClH/c1-4-25-19(24)22-15-7-8-16(23-18(15)20)21-14-6-5-13-10-11(2)9-12(3)17(13)14;/h7-10,14H,4-6H2,1-3H3,(H,22,24)(H3,20,21,23);1H
InChIKeyXSAFCXBRZYFNTQ-UHFFFAOYSA-N
XLogP0.37
TPSA90.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze ethyl N-[2-amino-6-[(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]pyridin-1-ium-3-yl]carbamate chloride with MolForge

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Related Compounds

ethyl N-[2-amino-6-[(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-3-pyridinyl]carbamate
CID 110179298
ethyl N-[2-amino-6-(cyclopentylamino)pyridin-1-ium-3-yl]carbamate chloride
CID 136821595
ethyl N-[2-amino-6-[[4-(2,4,6-trimethylphenyl)phenyl]methylamino]pyridin-1-ium-3-yl]carbamate chloride
CID 136821544
N-(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)acetamide
CID 110180187
ethyl N-[2-amino-6-[(5,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-3-pyridinyl]carbamate
CID 110179570
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]carbamate
CID 25271804
ethyl N-(2-amino-6-phenylmethoxypyridin-1-ium-3-yl)carbamate chloride
CID 136821444
ethyl N-[2-amino-6-[[2-(4-chlorophenyl)-1-(4-methylphenyl)ethyl]amino]pyridin-1-ium-3-yl]carbamate chloride
CID 136821515
ethyl N-(2-formyl-4-methylphenyl)carbamate
CID 135178172
ethyl N-[2-amino-6-[(4-methoxyphenyl)methylamino]pyridin-1-ium-3-yl]carbamate;4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carboxylate
CID 136821628
ethyl N-(5-ethyl-2-methylphenyl)carbamate
CID 110604053
ethyl N-(3,4-dichloro-2-cyclohexylphenyl)carbamate
CID 70477773

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-6-[(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]pyridin-1-ium-3-yl]carbamate chloride?
The IUPAC name of ethyl N-[2-amino-6-[(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]pyridin-1-ium-3-yl]carbamate chloride (CID 136821511) is ethyl N-[2-amino-6-[(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]pyridin-1-ium-3-yl]carbamate chloride.
What is the SMILES notation for ethyl N-[2-amino-6-[(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]pyridin-1-ium-3-yl]carbamate chloride?
The canonical SMILES for ethyl N-[2-amino-6-[(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]pyridin-1-ium-3-yl]carbamate chloride is CCOC(=O)Nc1ccc(NC2CCc3cc(C)cc(C)c32)[nH+]c1N.[Cl-].
What is the InChIKey of ethyl N-[2-amino-6-[(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]pyridin-1-ium-3-yl]carbamate chloride?
The InChIKey is XSAFCXBRZYFNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.ClH/c1-4-25-19(24)22-15-7-8-16(23-18(15)20)21-14-6-5-13-10-11(2)9-12(3)17(13)14;/h7-10,14H,4-6H2,1-3H3,(H,22,24)(H3,20,21,23);1H.
What are the key properties of ethyl N-[2-amino-6-[(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]pyridin-1-ium-3-yl]carbamate chloride?
ethyl N-[2-amino-6-[(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]pyridin-1-ium-3-yl]carbamate chloride has a molecular weight of 376.89 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-amino-6-[(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]pyridin-1-ium-3-yl]carbamate chloride is sourced from PubChem (CID 136821511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).