4-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-chloro-5-cyanopyridine-2-carboxamide

C20H15ClN4O3S — CID 87205338

IUPAC4-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-chloro-5-cyanopyridine-2-carboxamide
SMILESN#Cc1c(N)cc(C(=O)NCc2ccc(S(=O)(=O)c3ccccc3)cc2)nc1Cl
InChIInChI=1S/C20H15ClN4O3S/c21-19-16(11-22)17(23)10-18(25-19)20(26)24-12-13-6-8-15(9-7-13)29(27,28)14-4-2-1-3-5-14/h1-10H,12H2,(H2,23,25)(H,24,26)
InChIKeyVMBSXUUSHJXTFR-UHFFFAOYSA-N
MW426.89 g/mol
LogP2.95
Rot. Bonds5

About 4-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-chloro-5-cyanopyridine-2-carboxamide

4-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-chloro-5-cyanopyridine-2-carboxamide (PubChem CID 87205338) has the molecular formula C20H15ClN4O3S and a molecular weight of 426.89 g/mol. Its IUPAC name is 4-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-chloro-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-chloro-5-cyanopyridine-2-carboxamide
PubChem CID87205338
Molecular FormulaC20H15ClN4O3S
Molecular Weight426.89 g/mol
Exact Mass426.06
IUPAC Name4-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-chloro-5-cyanopyridine-2-carboxamide
SMILESN#Cc1c(N)cc(C(=O)NCc2ccc(S(=O)(=O)c3ccccc3)cc2)nc1Cl
InChIInChI=1S/C20H15ClN4O3S/c21-19-16(11-22)17(23)10-18(25-19)20(26)24-12-13-6-8-15(9-7-13)29(27,28)14-4-2-1-3-5-14/h1-10H,12H2,(H2,23,25)(H,24,26)
InChIKeyVMBSXUUSHJXTFR-UHFFFAOYSA-N
XLogP2.95
TPSA125.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.89
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]benzoic acid
CID 66920940
4-amino-5-cyano-6-ethoxy-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide
CID 11522966
methyl 4-amino-6-chloro-5-cyanopyridine-2-carboxylate
CID 58685812
4-amino-5-cyano-6-ethoxy-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 66920733
N-[[4-(benzenesulfonyl)phenyl]methyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide
CID 56943182
4-amino-5-cyano-6-ethoxy-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 11493365
N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide
CID 56943128
4-amino-5-cyano-6-ethoxy-N-[[4-(thiadiazol-5-yl)phenyl]methyl]pyridine-2-carboxamide
CID 66920638
4-amino-5-cyano-6-ethoxy-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 66920814
6-amino-N-benzylpyridine-2-carboxamide
CID 62240949
6-amino-2-chloro-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 58104369
4-amino-5-cyano-6-ethoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyridine-2-carboxamide
CID 66920795

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-chloro-5-cyanopyridine-2-carboxamide?
The IUPAC name of 4-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-chloro-5-cyanopyridine-2-carboxamide (CID 87205338) is 4-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-chloro-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-chloro-5-cyanopyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-chloro-5-cyanopyridine-2-carboxamide is N#Cc1c(N)cc(C(=O)NCc2ccc(S(=O)(=O)c3ccccc3)cc2)nc1Cl.
What is the InChIKey of 4-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-chloro-5-cyanopyridine-2-carboxamide?
The InChIKey is VMBSXUUSHJXTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O3S/c21-19-16(11-22)17(23)10-18(25-19)20(26)24-12-13-6-8-15(9-7-13)29(27,28)14-4-2-1-3-5-14/h1-10H,12H2,(H2,23,25)(H,24,26).
What are the key properties of 4-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-chloro-5-cyanopyridine-2-carboxamide?
4-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-chloro-5-cyanopyridine-2-carboxamide has a molecular weight of 426.89 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-chloro-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 87205338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).