6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide

C23H24FN7O3S — CID 90154931

IUPAC6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
SMILESCC(C)Nc1cc(Nc2ncc(C#N)cc2F)ncc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C23H24FN7O3S/c1-14(2)30-20-10-21(31-22-19(24)9-16(11-25)12-29-22)28-13-18(20)23(32)27-8-7-15-3-5-17(6-4-15)35(26,33)34/h3-6,9-10,12-14H,7-8H2,1-2H3,(H,27,32)(H2,26,33,34)(H2,28,29,30,31)
InChIKeyNUEIERSSKVKKMO-UHFFFAOYSA-N
MW497.56 g/mol
LogP2.67
Rot. Bonds9

About 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide

6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 90154931) has the molecular formula C23H24FN7O3S and a molecular weight of 497.56 g/mol. Its IUPAC name is 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID90154931
Molecular FormulaC23H24FN7O3S
Molecular Weight497.56 g/mol
Exact Mass497.16
IUPAC Name6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
SMILESCC(C)Nc1cc(Nc2ncc(C#N)cc2F)ncc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C23H24FN7O3S/c1-14(2)30-20-10-21(31-22-19(24)9-16(11-25)12-29-22)28-13-18(20)23(32)27-8-7-15-3-5-17(6-4-15)35(26,33)34/h3-6,9-10,12-14H,7-8H2,1-2H3,(H,27,32)(H2,26,33,34)(H2,28,29,30,31)
InChIKeyNUEIERSSKVKKMO-UHFFFAOYSA-N
XLogP2.67
TPSA162.89 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide (CID 90154931) is 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide is CC(C)Nc1cc(Nc2ncc(C#N)cc2F)ncc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is NUEIERSSKVKKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O3S/c1-14(2)30-20-10-21(31-22-19(24)9-16(11-25)12-29-22)28-13-18(20)23(32)27-8-7-15-3-5-17(6-4-15)35(26,33)34/h3-6,9-10,12-14H,7-8H2,1-2H3,(H,27,32)(H2,26,33,34)(H2,28,29,30,31).
What are the key properties of 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide?
6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 497.56 g/mol, XLogP of 2.67, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 90154931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).