ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]carbamate

C15H18FN4O2+ — CID 25271804

IUPACethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(F)cc2)[nH+]c1N
InChIInChI=1S/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20)/p+1
InChIKeyJUUFBMODXQKSTD-UHFFFAOYSA-O
MW305.33 g/mol
LogP2.40
Rot. Bonds5

About ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]carbamate

ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]carbamate (PubChem CID 25271804) has the molecular formula C15H18FN4O2+ and a molecular weight of 305.33 g/mol. Its IUPAC name is ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]carbamate
PubChem CID25271804
Molecular FormulaC15H18FN4O2+
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Nameethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(F)cc2)[nH+]c1N
InChIInChI=1S/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20)/p+1
InChIKeyJUUFBMODXQKSTD-UHFFFAOYSA-O
XLogP2.40
TPSA90.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[2-amino-6-[[4-(2,4,6-trimethylphenyl)phenyl]methylamino]pyridin-1-ium-3-yl]carbamate chloride
CID 136821544
N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]benzamide chloride
CID 136821796
(Z)-4-hydroxy-4-oxobut-2-enoate;propan-2-yl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]carbamate
CID 136821979
ethyl N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]carbamate;hydrochloride
CID 10020110
ethane;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 153394509
ethyl N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]carbamate;phosphoric acid
CID 72548935
ethyl N-[4-[(4-fluoroanilino)methyl]-2-methylphenyl]carbamate
CID 10266902
prop-2-enyl N-[2-amino-6-(benzylamino)pyridin-1-ium-3-yl]carbamate chloride
CID 136821880
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;methanesulfonate
CID 131740296
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;thiocyanic acid
CID 87118898
N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide chloride
CID 136821931
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

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]carbamate?
The IUPAC name of ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]carbamate (CID 25271804) is ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]carbamate?
The canonical SMILES for ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]carbamate is CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)[nH+]c1N.
What is the InChIKey of ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]carbamate?
The InChIKey is JUUFBMODXQKSTD-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20)/p+1.
What are the key properties of ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]carbamate?
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]carbamate has a molecular weight of 305.33 g/mol, XLogP of 2.40, 5 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-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]carbamate is sourced from PubChem (CID 25271804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).