ethyl N-[2-amino-6-(furan-2-ylmethylamino)-3-pyridinyl]carbamate

C13H16N4O3 — CID 110178948

IUPACethyl N-[2-amino-6-(furan-2-ylmethylamino)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccco2)nc1N
InChIInChI=1S/C13H16N4O3/c1-2-19-13(18)16-10-5-6-11(17-12(10)14)15-8-9-4-3-7-20-9/h3-7H,2,8H2,1H3,(H,16,18)(H3,14,15,17)
InChIKeyYGMIFMJVXIRZFI-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.44
Rot. Bonds5

About ethyl N-[2-amino-6-(furan-2-ylmethylamino)-3-pyridinyl]carbamate

ethyl N-[2-amino-6-(furan-2-ylmethylamino)-3-pyridinyl]carbamate (PubChem CID 110178948) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is ethyl N-[2-amino-6-(furan-2-ylmethylamino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-6-(furan-2-ylmethylamino)-3-pyridinyl]carbamate
PubChem CID110178948
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Nameethyl N-[2-amino-6-(furan-2-ylmethylamino)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccco2)nc1N
InChIInChI=1S/C13H16N4O3/c1-2-19-13(18)16-10-5-6-11(17-12(10)14)15-8-9-4-3-7-20-9/h3-7H,2,8H2,1H3,(H,16,18)(H3,14,15,17)
InChIKeyYGMIFMJVXIRZFI-UHFFFAOYSA-N
XLogP2.44
TPSA102.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[2-amino-6-[(2,6-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride
CID 45261324
ethyl N-[2-amino-6-[(2,4-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride
CID 45261304
ethyl N-[2-amino-6-[(2,4-difluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 10426258
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;methanesulfonate
CID 131740296
ethyl N-[2-amino-6-[(4-thiophen-2-ylphenyl)methylamino]-3-pyridinyl]carbamate
CID 137420884
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;thiocyanic acid
CID 87118898
ethyl N-[2-amino-6-[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]-3-pyridinyl]carbamate
CID 123284761
ethyl N-[2-amino-6-[(2-hydroxy-1,2-diphenylethyl)amino]-3-pyridinyl]carbamate
CID 110179116
ethyl 2-(furan-2-ylmethylamino)-1,3-oxazole-4-carboxylate
CID 113377062
ethyl N-[6-[(4-methoxyphenyl)methylamino]-2-(methylamino)-3-pyridinyl]carbamate
CID 110179026
1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine
CID 43349415
ethyl 5-(furan-2-ylmethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate
CID 2360945

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-6-(furan-2-ylmethylamino)-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[2-amino-6-(furan-2-ylmethylamino)-3-pyridinyl]carbamate (CID 110178948) is ethyl N-[2-amino-6-(furan-2-ylmethylamino)-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-6-(furan-2-ylmethylamino)-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[2-amino-6-(furan-2-ylmethylamino)-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NCc2ccco2)nc1N.
What is the InChIKey of ethyl N-[2-amino-6-(furan-2-ylmethylamino)-3-pyridinyl]carbamate?
The InChIKey is YGMIFMJVXIRZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-2-19-13(18)16-10-5-6-11(17-12(10)14)15-8-9-4-3-7-20-9/h3-7H,2,8H2,1H3,(H,16,18)(H3,14,15,17).
What are the key properties of ethyl N-[2-amino-6-(furan-2-ylmethylamino)-3-pyridinyl]carbamate?
ethyl N-[2-amino-6-(furan-2-ylmethylamino)-3-pyridinyl]carbamate has a molecular weight of 276.30 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-amino-6-(furan-2-ylmethylamino)-3-pyridinyl]carbamate is sourced from PubChem (CID 110178948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).