6-chloro-4-[(2-methylsulfanylphenyl)methylamino]pyridine-3-carboxamide

C14H14ClN3OS — CID 58440080

IUPAC6-chloro-4-[(2-methylsulfanylphenyl)methylamino]pyridine-3-carboxamide
SMILESCSc1ccccc1CNc1cc(Cl)ncc1C(N)=O
InChIInChI=1S/C14H14ClN3OS/c1-20-12-5-3-2-4-9(12)7-17-11-6-13(15)18-8-10(11)14(16)19/h2-6,8H,7H2,1H3,(H2,16,19)(H,17,18)
InChIKeyCYYCXGBDHNPHGK-UHFFFAOYSA-N
MW307.81 g/mol
LogP3.17
Rot. Bonds5

About 6-chloro-4-[(2-methylsulfanylphenyl)methylamino]pyridine-3-carboxamide

6-chloro-4-[(2-methylsulfanylphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 58440080) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is 6-chloro-4-[(2-methylsulfanylphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[(2-methylsulfanylphenyl)methylamino]pyridine-3-carboxamide
PubChem CID58440080
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name6-chloro-4-[(2-methylsulfanylphenyl)methylamino]pyridine-3-carboxamide
SMILESCSc1ccccc1CNc1cc(Cl)ncc1C(N)=O
InChIInChI=1S/C14H14ClN3OS/c1-20-12-5-3-2-4-9(12)7-17-11-6-13(15)18-8-10(11)14(16)19/h2-6,8H,7H2,1H3,(H2,16,19)(H,17,18)
InChIKeyCYYCXGBDHNPHGK-UHFFFAOYSA-N
XLogP3.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-4-[[2-(1λ3,2-iodazol-1-yl)phenyl]methylamino]pyridine-3-carboxamide
CID 89065817
6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide
CID 146277774
6-chloro-4-[(2,3,6-trifluorophenyl)methylamino]pyridine-3-carboxamide
CID 58440060
6-chloro-4-(1-phenylethylamino)pyridine-3-carboxamide
CID 76789381
6-chloro-4-[2-ethyl-3-(hydroxymethyl)anilino]pyridine-3-carboxamide
CID 58440318
4-[[4-(aminomethyl)cyclohexyl]methylamino]-6-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 11951250
4-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]pyridine-3-carboxamide
CID 123575616
6-chloro-4-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide
CID 58450631
6-chloro-4-(1H-indol-4-ylmethylamino)-N-methylpyridine-3-carboxamide
CID 143999736
4-[(2-chlorophenyl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 81233545
4-(3-bromoanilino)-6-chloropyridine-3-carboxamide;ethane
CID 144625083
5-amino-2-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 61358389

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(2-methylsulfanylphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-[(2-methylsulfanylphenyl)methylamino]pyridine-3-carboxamide (CID 58440080) is 6-chloro-4-[(2-methylsulfanylphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[(2-methylsulfanylphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[(2-methylsulfanylphenyl)methylamino]pyridine-3-carboxamide is CSc1ccccc1CNc1cc(Cl)ncc1C(N)=O.
What is the InChIKey of 6-chloro-4-[(2-methylsulfanylphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is CYYCXGBDHNPHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c1-20-12-5-3-2-4-9(12)7-17-11-6-13(15)18-8-10(11)14(16)19/h2-6,8H,7H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of 6-chloro-4-[(2-methylsulfanylphenyl)methylamino]pyridine-3-carboxamide?
6-chloro-4-[(2-methylsulfanylphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 307.81 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(2-methylsulfanylphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 58440080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).