ethyl N-[2-amino-6-(cyclopentylamino)pyridin-1-ium-3-yl]carbamate chloride

C13H21ClN4O2 — CID 136821595

IUPACethyl N-[2-amino-6-(cyclopentylamino)pyridin-1-ium-3-yl]carbamate chloride
SMILESCCOC(=O)Nc1ccc(NC2CCCC2)[nH+]c1N.[Cl-]
InChIInChI=1S/C13H20N4O2.ClH/c1-2-19-13(18)16-10-7-8-11(17-12(10)14)15-9-5-3-4-6-9;/h7-9H,2-6H2,1H3,(H,16,18)(H3,14,15,17);1H
InChIKeyYSKBKMBERCSJIV-UHFFFAOYSA-N
MW300.79 g/mol
LogP-0.99
Rot. Bonds4

About ethyl N-[2-amino-6-(cyclopentylamino)pyridin-1-ium-3-yl]carbamate chloride

ethyl N-[2-amino-6-(cyclopentylamino)pyridin-1-ium-3-yl]carbamate chloride (PubChem CID 136821595) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is ethyl N-[2-amino-6-(cyclopentylamino)pyridin-1-ium-3-yl]carbamate chloride.

Molecular Properties

Compound Nameethyl N-[2-amino-6-(cyclopentylamino)pyridin-1-ium-3-yl]carbamate chloride
PubChem CID136821595
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Nameethyl N-[2-amino-6-(cyclopentylamino)pyridin-1-ium-3-yl]carbamate chloride
SMILESCCOC(=O)Nc1ccc(NC2CCCC2)[nH+]c1N.[Cl-]
InChIInChI=1S/C13H20N4O2.ClH/c1-2-19-13(18)16-10-7-8-11(17-12(10)14)15-9-5-3-4-6-9;/h7-9H,2-6H2,1H3,(H,16,18)(H3,14,15,17);1H
InChIKeyYSKBKMBERCSJIV-UHFFFAOYSA-N
XLogP-0.99
TPSA90.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
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-[[4-(2,4,6-trimethylphenyl)phenyl]methylamino]pyridin-1-ium-3-yl]carbamate chloride
CID 136821544
ethyl N-[2-amino-6-[[2-(4-chlorophenyl)-1-(4-methylphenyl)ethyl]amino]pyridin-1-ium-3-yl]carbamate chloride
CID 136821515
ethyl 3-amino-4-(cyclopentylamino)benzoate;ethyl 3-amino-4-(cyclopropylamino)benzoate
CID 160671023
ethyl N-(3,4-dichloro-2-cyclohexylphenyl)carbamate
CID 70477773
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 5-amino-2-(cyclobutylamino)benzoate
CID 62413866
ethyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate
CID 43783950
ethyl 3-bromo-4-(cyclopentylamino)benzoate
CID 43684306
ethyl N-[2-amino-6-[(2-methoxyphenyl)methylamino]pyridin-1-ium-3-yl]carbamate;(E)-4-hydroxy-4-oxobut-2-enoate
CID 136821465

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-6-(cyclopentylamino)pyridin-1-ium-3-yl]carbamate chloride?
The IUPAC name of ethyl N-[2-amino-6-(cyclopentylamino)pyridin-1-ium-3-yl]carbamate chloride (CID 136821595) is ethyl N-[2-amino-6-(cyclopentylamino)pyridin-1-ium-3-yl]carbamate chloride.
What is the SMILES notation for ethyl N-[2-amino-6-(cyclopentylamino)pyridin-1-ium-3-yl]carbamate chloride?
The canonical SMILES for ethyl N-[2-amino-6-(cyclopentylamino)pyridin-1-ium-3-yl]carbamate chloride is CCOC(=O)Nc1ccc(NC2CCCC2)[nH+]c1N.[Cl-].
What is the InChIKey of ethyl N-[2-amino-6-(cyclopentylamino)pyridin-1-ium-3-yl]carbamate chloride?
The InChIKey is YSKBKMBERCSJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2.ClH/c1-2-19-13(18)16-10-7-8-11(17-12(10)14)15-9-5-3-4-6-9;/h7-9H,2-6H2,1H3,(H,16,18)(H3,14,15,17);1H.
What are the key properties of ethyl N-[2-amino-6-(cyclopentylamino)pyridin-1-ium-3-yl]carbamate chloride?
ethyl N-[2-amino-6-(cyclopentylamino)pyridin-1-ium-3-yl]carbamate chloride has a molecular weight of 300.79 g/mol, XLogP of -0.99, 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-(cyclopentylamino)pyridin-1-ium-3-yl]carbamate chloride is sourced from PubChem (CID 136821595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).