3-amino-N-[4-chloro-3-[dideuterio(fluoro)methyl]sulfanylphenyl]pyridine-2-carboxamide

C13H11ClFN3OS — CID 164738387

IUPAC3-amino-N-[4-chloro-3-[dideuterio(fluoro)methyl]sulfanylphenyl]pyridine-2-carboxamide
SMILES[2H]C([2H])(F)Sc1cc(NC(=O)c2ncccc2N)ccc1Cl
InChIInChI=1S/C13H11ClFN3OS/c14-9-4-3-8(6-11(9)20-7-15)18-13(19)12-10(16)2-1-5-17-12/h1-6H,7,16H2,(H,18,19)/i7D2
InChIKeyCAQOGLRTMLUSDF-RJSZUWSASA-N
MW313.78 g/mol
LogP3.59
Rot. Bonds4

About 3-amino-N-[4-chloro-3-[dideuterio(fluoro)methyl]sulfanylphenyl]pyridine-2-carboxamide

3-amino-N-[4-chloro-3-[dideuterio(fluoro)methyl]sulfanylphenyl]pyridine-2-carboxamide (PubChem CID 164738387) has the molecular formula C13H11ClFN3OS and a molecular weight of 313.78 g/mol. Its IUPAC name is 3-amino-N-[4-chloro-3-[dideuterio(fluoro)methyl]sulfanylphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-chloro-3-[dideuterio(fluoro)methyl]sulfanylphenyl]pyridine-2-carboxamide
PubChem CID164738387
Molecular FormulaC13H11ClFN3OS
Molecular Weight313.78 g/mol
Exact Mass313.04
IUPAC Name3-amino-N-[4-chloro-3-[dideuterio(fluoro)methyl]sulfanylphenyl]pyridine-2-carboxamide
SMILES[2H]C([2H])(F)Sc1cc(NC(=O)c2ncccc2N)ccc1Cl
InChIInChI=1S/C13H11ClFN3OS/c14-9-4-3-8(6-11(9)20-7-15)18-13(19)12-10(16)2-1-5-17-12/h1-6H,7,16H2,(H,18,19)/i7D2
InChIKeyCAQOGLRTMLUSDF-RJSZUWSASA-N
XLogP3.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 104741490
CID 154643103
CID 154643103
N-[4-chloro-3-[dideuterio(fluoro)methyl]sulfanylphenyl]pyridine-2-carbothioamide
CID 164738417
3-amino-N-[4-(carbamoylamino)phenyl]pyridine-2-carboxamide
CID 104741358
3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide
CID 103094260
N-(3-acetamido-4-fluorophenyl)-3-aminopyridine-2-carboxamide
CID 104741465
4-[(3-aminopyridine-2-carbonyl)amino]-3,5-dichlorobenzoic acid
CID 104742777
3-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
CID 104741844
3-amino-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
CID 104741943
3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 104740959
2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270655
3-amino-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 104740905

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-chloro-3-[dideuterio(fluoro)methyl]sulfanylphenyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-chloro-3-[dideuterio(fluoro)methyl]sulfanylphenyl]pyridine-2-carboxamide (CID 164738387) is 3-amino-N-[4-chloro-3-[dideuterio(fluoro)methyl]sulfanylphenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-chloro-3-[dideuterio(fluoro)methyl]sulfanylphenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-chloro-3-[dideuterio(fluoro)methyl]sulfanylphenyl]pyridine-2-carboxamide is [2H]C([2H])(F)Sc1cc(NC(=O)c2ncccc2N)ccc1Cl.
What is the InChIKey of 3-amino-N-[4-chloro-3-[dideuterio(fluoro)methyl]sulfanylphenyl]pyridine-2-carboxamide?
The InChIKey is CAQOGLRTMLUSDF-RJSZUWSASA-N. The full InChI is InChI=1S/C13H11ClFN3OS/c14-9-4-3-8(6-11(9)20-7-15)18-13(19)12-10(16)2-1-5-17-12/h1-6H,7,16H2,(H,18,19)/i7D2.
What are the key properties of 3-amino-N-[4-chloro-3-[dideuterio(fluoro)methyl]sulfanylphenyl]pyridine-2-carboxamide?
3-amino-N-[4-chloro-3-[dideuterio(fluoro)methyl]sulfanylphenyl]pyridine-2-carboxamide has a molecular weight of 313.78 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-chloro-3-[dideuterio(fluoro)methyl]sulfanylphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 164738387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).