N-[(2R)-2,3-diamino-3-sulfanylidenepropanoyl]pyridine-3-carboxamide

C9H10N4O2S — CID 90174460

IUPACN-[(2R)-2,3-diamino-3-sulfanylidenepropanoyl]pyridine-3-carboxamide
SMILESNC(=S)[C@H](N)C(=O)NC(=O)c1cccnc1
InChIInChI=1S/C9H10N4O2S/c10-6(7(11)16)9(15)13-8(14)5-2-1-3-12-4-5/h1-4,6H,10H2,(H2,11,16)(H,13,14,15)/t6-/m0/s1
InChIKeySGQJGXSHZNRZMD-LURJTMIESA-N
MW238.27 g/mol
LogP-1.05
Rot. Bonds3

About N-[(2R)-2,3-diamino-3-sulfanylidenepropanoyl]pyridine-3-carboxamide

N-[(2R)-2,3-diamino-3-sulfanylidenepropanoyl]pyridine-3-carboxamide (PubChem CID 90174460) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is N-[(2R)-2,3-diamino-3-sulfanylidenepropanoyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2,3-diamino-3-sulfanylidenepropanoyl]pyridine-3-carboxamide
PubChem CID90174460
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC NameN-[(2R)-2,3-diamino-3-sulfanylidenepropanoyl]pyridine-3-carboxamide
SMILESNC(=S)[C@H](N)C(=O)NC(=O)c1cccnc1
InChIInChI=1S/C9H10N4O2S/c10-6(7(11)16)9(15)13-8(14)5-2-1-3-12-4-5/h1-4,6H,10H2,(H2,11,16)(H,13,14,15)/t6-/m0/s1
InChIKeySGQJGXSHZNRZMD-LURJTMIESA-N
XLogP-1.05
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-(pyridine-3-carbonylcarbamothioylamino)propanoate
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N-methylpyridine-3-carboxamide chloride
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azane;platinum(4+);pyridine-3-carboxamide;dichloride
CID 71548674
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)pyridine-3-carboxamide
CID 61123796
2,2-diamino-1-pyridin-3-ylethanone
CID 174594045
pyridine-3-carbothioylcarbamic acid
CID 123277639
CID 175154223
CID 175154223
methane;pyridine-3-carboxamide
CID 19390506
benzene;pyridine-3-carboxamide
CID 66766032
N-[[4-(carbamoylsulfamoyl)phenyl]carbamothioyl]pyridine-3-carboxamide
CID 6611245
N-propan-2-yloxypyridine-3-carboxamide;hydrochloride
CID 3028390

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2,3-diamino-3-sulfanylidenepropanoyl]pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2,3-diamino-3-sulfanylidenepropanoyl]pyridine-3-carboxamide (CID 90174460) is N-[(2R)-2,3-diamino-3-sulfanylidenepropanoyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2,3-diamino-3-sulfanylidenepropanoyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2,3-diamino-3-sulfanylidenepropanoyl]pyridine-3-carboxamide is NC(=S)[C@H](N)C(=O)NC(=O)c1cccnc1.
What is the InChIKey of N-[(2R)-2,3-diamino-3-sulfanylidenepropanoyl]pyridine-3-carboxamide?
The InChIKey is SGQJGXSHZNRZMD-LURJTMIESA-N. The full InChI is InChI=1S/C9H10N4O2S/c10-6(7(11)16)9(15)13-8(14)5-2-1-3-12-4-5/h1-4,6H,10H2,(H2,11,16)(H,13,14,15)/t6-/m0/s1.
What are the key properties of N-[(2R)-2,3-diamino-3-sulfanylidenepropanoyl]pyridine-3-carboxamide?
N-[(2R)-2,3-diamino-3-sulfanylidenepropanoyl]pyridine-3-carboxamide has a molecular weight of 238.27 g/mol, XLogP of -1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2,3-diamino-3-sulfanylidenepropanoyl]pyridine-3-carboxamide is sourced from PubChem (CID 90174460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).