5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]-6-phenylsulfanylpyridine-3-carboxamide

C19H18N4O5S — CID 53486721

IUPAC5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]-6-phenylsulfanylpyridine-3-carboxamide
SMILESN#Cc1cc(C(=O)NC(=O)N[C@H]2CC(O)[C@@H](CO)O2)cnc1Sc1ccccc1
InChIInChI=1S/C19H18N4O5S/c20-8-11-6-12(9-21-18(11)29-13-4-2-1-3-5-13)17(26)23-19(27)22-16-7-14(25)15(10-24)28-16/h1-6,9,14-16,24-25H,7,10H2,(H2,22,23,26,27)/t14?,15-,16-/m1/s1
InChIKeyHARYBJOHTSRJJN-ANGDWKNPSA-N
MW414.44 g/mol
LogP1.01
Rot. Bonds5

About 5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]-6-phenylsulfanylpyridine-3-carboxamide

5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]-6-phenylsulfanylpyridine-3-carboxamide (PubChem CID 53486721) has the molecular formula C19H18N4O5S and a molecular weight of 414.44 g/mol. Its IUPAC name is 5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]-6-phenylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]-6-phenylsulfanylpyridine-3-carboxamide
PubChem CID53486721
Molecular FormulaC19H18N4O5S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC Name5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]-6-phenylsulfanylpyridine-3-carboxamide
SMILESN#Cc1cc(C(=O)NC(=O)N[C@H]2CC(O)[C@@H](CO)O2)cnc1Sc1ccccc1
InChIInChI=1S/C19H18N4O5S/c20-8-11-6-12(9-21-18(11)29-13-4-2-1-3-5-13)17(26)23-19(27)22-16-7-14(25)15(10-24)28-16/h1-6,9,14-16,24-25H,7,10H2,(H2,22,23,26,27)/t14?,15-,16-/m1/s1
InChIKeyHARYBJOHTSRJJN-ANGDWKNPSA-N
XLogP1.01
TPSA144.57 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]-6-phenylsulfanylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]-6-phenylsulfanylpyridine-3-carboxamide?
The IUPAC name of 5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]-6-phenylsulfanylpyridine-3-carboxamide (CID 53486721) is 5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]-6-phenylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]-6-phenylsulfanylpyridine-3-carboxamide?
The canonical SMILES for 5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]-6-phenylsulfanylpyridine-3-carboxamide is N#Cc1cc(C(=O)NC(=O)N[C@H]2CC(O)[C@@H](CO)O2)cnc1Sc1ccccc1.
What is the InChIKey of 5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]-6-phenylsulfanylpyridine-3-carboxamide?
The InChIKey is HARYBJOHTSRJJN-ANGDWKNPSA-N. The full InChI is InChI=1S/C19H18N4O5S/c20-8-11-6-12(9-21-18(11)29-13-4-2-1-3-5-13)17(26)23-19(27)22-16-7-14(25)15(10-24)28-16/h1-6,9,14-16,24-25H,7,10H2,(H2,22,23,26,27)/t14?,15-,16-/m1/s1.
What are the key properties of 5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]-6-phenylsulfanylpyridine-3-carboxamide?
5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]-6-phenylsulfanylpyridine-3-carboxamide has a molecular weight of 414.44 g/mol, XLogP of 1.01, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]-6-phenylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 53486721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).