phenyl N-[2-amino-6-[(4-sulfamoylphenyl)methylamino]-3-pyridinyl]carbamate

C19H19N5O4S — CID 110187356

IUPACphenyl N-[2-amino-6-[(4-sulfamoylphenyl)methylamino]-3-pyridinyl]carbamate
SMILESNc1nc(NCc2ccc(S(N)(=O)=O)cc2)ccc1NC(=O)Oc1ccccc1
InChIInChI=1S/C19H19N5O4S/c20-18-16(23-19(25)28-14-4-2-1-3-5-14)10-11-17(24-18)22-12-13-6-8-15(9-7-13)29(21,26)27/h1-11H,12H2,(H,23,25)(H3,20,22,24)(H2,21,26,27)
InChIKeyCGVCEKFYJJRUHA-UHFFFAOYSA-N
MW413.46 g/mol
LogP2.53
Rot. Bonds6

About phenyl N-[2-amino-6-[(4-sulfamoylphenyl)methylamino]-3-pyridinyl]carbamate

phenyl N-[2-amino-6-[(4-sulfamoylphenyl)methylamino]-3-pyridinyl]carbamate (PubChem CID 110187356) has the molecular formula C19H19N5O4S and a molecular weight of 413.46 g/mol. Its IUPAC name is phenyl N-[2-amino-6-[(4-sulfamoylphenyl)methylamino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-amino-6-[(4-sulfamoylphenyl)methylamino]-3-pyridinyl]carbamate
PubChem CID110187356
Molecular FormulaC19H19N5O4S
Molecular Weight413.46 g/mol
Exact Mass413.12
IUPAC Namephenyl N-[2-amino-6-[(4-sulfamoylphenyl)methylamino]-3-pyridinyl]carbamate
SMILESNc1nc(NCc2ccc(S(N)(=O)=O)cc2)ccc1NC(=O)Oc1ccccc1
InChIInChI=1S/C19H19N5O4S/c20-18-16(23-19(25)28-14-4-2-1-3-5-14)10-11-17(24-18)22-12-13-6-8-15(9-7-13)29(21,26)27/h1-11H,12H2,(H,23,25)(H3,20,22,24)(H2,21,26,27)
InChIKeyCGVCEKFYJJRUHA-UHFFFAOYSA-N
XLogP2.53
TPSA149.43 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

phenyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate
CID 110186262
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;2-hydroxybenzoic acid
CID 66706287
[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]urea
CID 67981379
ethane;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 153394509
2-chloroethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride
CID 45261412
4-[[(6-bromo-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 106192569
4-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 133407312
cyclohexyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 110186504
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;thiocyanic acid
CID 87118898
[5,6-diamino-4-[(4-sulfamoylphenyl)methylamino]-2-pyridinyl]-ethylcarbamic acid
CID 57375750
N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-bromobutanamide
CID 110187575

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-amino-6-[(4-sulfamoylphenyl)methylamino]-3-pyridinyl]carbamate?
The IUPAC name of phenyl N-[2-amino-6-[(4-sulfamoylphenyl)methylamino]-3-pyridinyl]carbamate (CID 110187356) is phenyl N-[2-amino-6-[(4-sulfamoylphenyl)methylamino]-3-pyridinyl]carbamate.
What is the SMILES notation for phenyl N-[2-amino-6-[(4-sulfamoylphenyl)methylamino]-3-pyridinyl]carbamate?
The canonical SMILES for phenyl N-[2-amino-6-[(4-sulfamoylphenyl)methylamino]-3-pyridinyl]carbamate is Nc1nc(NCc2ccc(S(N)(=O)=O)cc2)ccc1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-amino-6-[(4-sulfamoylphenyl)methylamino]-3-pyridinyl]carbamate?
The InChIKey is CGVCEKFYJJRUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4S/c20-18-16(23-19(25)28-14-4-2-1-3-5-14)10-11-17(24-18)22-12-13-6-8-15(9-7-13)29(21,26)27/h1-11H,12H2,(H,23,25)(H3,20,22,24)(H2,21,26,27).
What are the key properties of phenyl N-[2-amino-6-[(4-sulfamoylphenyl)methylamino]-3-pyridinyl]carbamate?
phenyl N-[2-amino-6-[(4-sulfamoylphenyl)methylamino]-3-pyridinyl]carbamate has a molecular weight of 413.46 g/mol, XLogP of 2.53, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-amino-6-[(4-sulfamoylphenyl)methylamino]-3-pyridinyl]carbamate is sourced from PubChem (CID 110187356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).