N,N'-diamino-2-aminosulfanyl-4-[6-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboximidamide

C12H15N7OS — CID 144893729

IUPACN,N'-diamino-2-aminosulfanyl-4-[6-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboximidamide
SMILESN/N=C(\NN)c1c(-c2ccc(CO)nc2)ccnc1SN
InChIInChI=1S/C12H15N7OS/c13-18-11(19-14)10-9(3-4-16-12(10)21-15)7-1-2-8(6-20)17-5-7/h1-5,20H,6,13-15H2,(H,18,19)
InChIKeyPPOSELQYZIBASM-UHFFFAOYSA-N
MW305.37 g/mol
LogP-0.31
Rot. Bonds4

About N,N'-diamino-2-aminosulfanyl-4-[6-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboximidamide

N,N'-diamino-2-aminosulfanyl-4-[6-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboximidamide (PubChem CID 144893729) has the molecular formula C12H15N7OS and a molecular weight of 305.37 g/mol. Its IUPAC name is N,N'-diamino-2-aminosulfanyl-4-[6-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN,N'-diamino-2-aminosulfanyl-4-[6-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboximidamide
PubChem CID144893729
Molecular FormulaC12H15N7OS
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC NameN,N'-diamino-2-aminosulfanyl-4-[6-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboximidamide
SMILESN/N=C(\NN)c1c(-c2ccc(CO)nc2)ccnc1SN
InChIInChI=1S/C12H15N7OS/c13-18-11(19-14)10-9(3-4-16-12(10)21-15)7-1-2-8(6-20)17-5-7/h1-5,20H,6,13-15H2,(H,18,19)
InChIKeyPPOSELQYZIBASM-UHFFFAOYSA-N
XLogP-0.31
TPSA148.46 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 5-0.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(hydroxymethyl)-3''-(1H-tetrazol-5-yl)-[3,4''-bipyridine]-2''-sulfonamide
CID 118265340
[2,3'-Bipyridin]-6'-ylmethanol
CID 23591975
[3,3'-Bipyridin]-6-ylmethanol
CID 23591976
[3-Methyl-5-(6-methyl-2-pyridinyl)-2-pyridinyl]methanol
CID 53844574
[5-[5-(1-Aminocyclopropyl)-2-pyridinyl]-2-pyridinyl]methanol
CID 91592418
[2,3'-Bipyridin]-6-ylmethanol
CID 92134702
N'-amino-2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylbenzenecarboximidamide
CID 123199347
Hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylbenzenecarboximidamide
CID 144893358
[4-[4-aminosulfanyl-3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methanol
CID 144893540
Hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylcyclohexa-1,5-diene-1-carboximidamide
CID 144893577
N,N'-diamino-4-[4-(hydroxymethyl)phenyl]-2-sulfinamoylpyridine-3-carboximidamide
CID 144893682
N,N'-diamino-4-[4-(hydroxymethyl)phenyl]-2-sulfamoylpyridine-3-carboximidamide
CID 144893719

Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-2-aminosulfanyl-4-[6-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboximidamide?
The IUPAC name of N,N'-diamino-2-aminosulfanyl-4-[6-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboximidamide (CID 144893729) is N,N'-diamino-2-aminosulfanyl-4-[6-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboximidamide.
What is the SMILES notation for N,N'-diamino-2-aminosulfanyl-4-[6-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboximidamide?
The canonical SMILES for N,N'-diamino-2-aminosulfanyl-4-[6-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboximidamide is N/N=C(\NN)c1c(-c2ccc(CO)nc2)ccnc1SN.
What is the InChIKey of N,N'-diamino-2-aminosulfanyl-4-[6-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboximidamide?
The InChIKey is PPOSELQYZIBASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7OS/c13-18-11(19-14)10-9(3-4-16-12(10)21-15)7-1-2-8(6-20)17-5-7/h1-5,20H,6,13-15H2,(H,18,19).
What are the key properties of N,N'-diamino-2-aminosulfanyl-4-[6-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboximidamide?
N,N'-diamino-2-aminosulfanyl-4-[6-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboximidamide has a molecular weight of 305.37 g/mol, XLogP of -0.31, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-2-aminosulfanyl-4-[6-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboximidamide is sourced from PubChem (CID 144893729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).