[5,6-diamino-4-[(4-sulfamoylphenyl)methylamino]-2-pyridinyl]-ethylcarbamic acid

C15H20N6O4S — CID 57375750

IUPAC[5,6-diamino-4-[(4-sulfamoylphenyl)methylamino]-2-pyridinyl]-ethylcarbamic acid
SMILESCCN(C(=O)O)c1cc(NCc2ccc(S(N)(=O)=O)cc2)c(N)c(N)n1
InChIInChI=1S/C15H20N6O4S/c1-2-21(15(22)23)12-7-11(13(16)14(17)20-12)19-8-9-3-5-10(6-4-9)26(18,24)25/h3-7H,2,8,16H2,1H3,(H,22,23)(H3,17,19,20)(H2,18,24,25)
InChIKeyILISHVIECFYCGD-UHFFFAOYSA-N
MW380.43 g/mol
LogP1.01
Rot. Bonds6

About [5,6-diamino-4-[(4-sulfamoylphenyl)methylamino]-2-pyridinyl]-ethylcarbamic acid

[5,6-diamino-4-[(4-sulfamoylphenyl)methylamino]-2-pyridinyl]-ethylcarbamic acid (PubChem CID 57375750) has the molecular formula C15H20N6O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is [5,6-diamino-4-[(4-sulfamoylphenyl)methylamino]-2-pyridinyl]-ethylcarbamic acid.

Molecular Properties

Compound Name[5,6-diamino-4-[(4-sulfamoylphenyl)methylamino]-2-pyridinyl]-ethylcarbamic acid
PubChem CID57375750
Molecular FormulaC15H20N6O4S
Molecular Weight380.43 g/mol
Exact Mass380.13
IUPAC Name[5,6-diamino-4-[(4-sulfamoylphenyl)methylamino]-2-pyridinyl]-ethylcarbamic acid
SMILESCCN(C(=O)O)c1cc(NCc2ccc(S(N)(=O)=O)cc2)c(N)c(N)n1
InChIInChI=1S/C15H20N6O4S/c1-2-21(15(22)23)12-7-11(13(16)14(17)20-12)19-8-9-3-5-10(6-4-9)26(18,24)25/h3-7H,2,8,16H2,1H3,(H,22,23)(H3,17,19,20)(H2,18,24,25)
InChIKeyILISHVIECFYCGD-UHFFFAOYSA-N
XLogP1.01
TPSA177.66 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 51.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl-[3-methyl-8-[(4-sulfamoylphenyl)methylamino]pyrido[2,3-b]pyrazin-6-yl]carbamic acid
CID 57375756
4-[[[6-(diethylamino)-1-methylpyrazolo[5,4-b]pyridin-4-yl]amino]methyl]benzenesulfonamide
CID 156539103
4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 106899228
1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea
CID 24685233
4-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]benzenesulfonamide
CID 114448052
[6-amino-4-(4-chloroanilino)-5-nitro-2-pyridinyl]-ethylcarbamic acid
CID 57375744
4-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 834409
4-[(pyridin-4-ylamino)methyl]benzenesulfonamide
CID 29036567
phenyl N-[2-amino-6-[(4-sulfamoylphenyl)methylamino]-3-pyridinyl]carbamate
CID 110187356
4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 43744201
[4-[4-ethoxy-2-[(4-sulfamoylphenyl)methylamino]quinazolin-6-yl]phenyl]urea
CID 68599575
N'-ethyl-N'-(3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520362

Frequently Asked Questions

What is the IUPAC name of [5,6-diamino-4-[(4-sulfamoylphenyl)methylamino]-2-pyridinyl]-ethylcarbamic acid?
The IUPAC name of [5,6-diamino-4-[(4-sulfamoylphenyl)methylamino]-2-pyridinyl]-ethylcarbamic acid (CID 57375750) is [5,6-diamino-4-[(4-sulfamoylphenyl)methylamino]-2-pyridinyl]-ethylcarbamic acid.
What is the SMILES notation for [5,6-diamino-4-[(4-sulfamoylphenyl)methylamino]-2-pyridinyl]-ethylcarbamic acid?
The canonical SMILES for [5,6-diamino-4-[(4-sulfamoylphenyl)methylamino]-2-pyridinyl]-ethylcarbamic acid is CCN(C(=O)O)c1cc(NCc2ccc(S(N)(=O)=O)cc2)c(N)c(N)n1.
What is the InChIKey of [5,6-diamino-4-[(4-sulfamoylphenyl)methylamino]-2-pyridinyl]-ethylcarbamic acid?
The InChIKey is ILISHVIECFYCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O4S/c1-2-21(15(22)23)12-7-11(13(16)14(17)20-12)19-8-9-3-5-10(6-4-9)26(18,24)25/h3-7H,2,8,16H2,1H3,(H,22,23)(H3,17,19,20)(H2,18,24,25).
What are the key properties of [5,6-diamino-4-[(4-sulfamoylphenyl)methylamino]-2-pyridinyl]-ethylcarbamic acid?
[5,6-diamino-4-[(4-sulfamoylphenyl)methylamino]-2-pyridinyl]-ethylcarbamic acid has a molecular weight of 380.43 g/mol, XLogP of 1.01, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-diamino-4-[(4-sulfamoylphenyl)methylamino]-2-pyridinyl]-ethylcarbamic acid is sourced from PubChem (CID 57375750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).