N-[3-[6-amino-5-cyano-4-[4-(diethylamino)phenyl]-2-pyridinyl]phenyl]methanesulfonamide

C23H25N5O2S — CID 71625308

IUPACN-[3-[6-amino-5-cyano-4-[4-(diethylamino)phenyl]-2-pyridinyl]phenyl]methanesulfonamide
SMILESCCN(CC)c1ccc(-c2cc(-c3cccc(NS(C)(=O)=O)c3)nc(N)c2C#N)cc1
InChIInChI=1S/C23H25N5O2S/c1-4-28(5-2)19-11-9-16(10-12-19)20-14-22(26-23(25)21(20)15-24)17-7-6-8-18(13-17)27-31(3,29)30/h6-14,27H,4-5H2,1-3H3,(H2,25,26)
InChIKeyBXBAIGQBEQKOFS-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.09
Rot. Bonds7

About N-[3-[6-amino-5-cyano-4-[4-(diethylamino)phenyl]-2-pyridinyl]phenyl]methanesulfonamide

N-[3-[6-amino-5-cyano-4-[4-(diethylamino)phenyl]-2-pyridinyl]phenyl]methanesulfonamide (PubChem CID 71625308) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[3-[6-amino-5-cyano-4-[4-(diethylamino)phenyl]-2-pyridinyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[6-amino-5-cyano-4-[4-(diethylamino)phenyl]-2-pyridinyl]phenyl]methanesulfonamide
PubChem CID71625308
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC NameN-[3-[6-amino-5-cyano-4-[4-(diethylamino)phenyl]-2-pyridinyl]phenyl]methanesulfonamide
SMILESCCN(CC)c1ccc(-c2cc(-c3cccc(NS(C)(=O)=O)c3)nc(N)c2C#N)cc1
InChIInChI=1S/C23H25N5O2S/c1-4-28(5-2)19-11-9-16(10-12-19)20-14-22(26-23(25)21(20)15-24)17-7-6-8-18(13-17)27-31(3,29)30/h6-14,27H,4-5H2,1-3H3,(H2,25,26)
InChIKeyBXBAIGQBEQKOFS-UHFFFAOYSA-N
XLogP4.09
TPSA112.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-amino-5-cyano-4-[4-(diethylamino)phenyl]-2-pyridinyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[6-amino-5-cyano-4-[4-(diethylamino)phenyl]-2-pyridinyl]phenyl]methanesulfonamide (CID 71625308) is N-[3-[6-amino-5-cyano-4-[4-(diethylamino)phenyl]-2-pyridinyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[6-amino-5-cyano-4-[4-(diethylamino)phenyl]-2-pyridinyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[6-amino-5-cyano-4-[4-(diethylamino)phenyl]-2-pyridinyl]phenyl]methanesulfonamide is CCN(CC)c1ccc(-c2cc(-c3cccc(NS(C)(=O)=O)c3)nc(N)c2C#N)cc1.
What is the InChIKey of N-[3-[6-amino-5-cyano-4-[4-(diethylamino)phenyl]-2-pyridinyl]phenyl]methanesulfonamide?
The InChIKey is BXBAIGQBEQKOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-4-28(5-2)19-11-9-16(10-12-19)20-14-22(26-23(25)21(20)15-24)17-7-6-8-18(13-17)27-31(3,29)30/h6-14,27H,4-5H2,1-3H3,(H2,25,26).
What are the key properties of N-[3-[6-amino-5-cyano-4-[4-(diethylamino)phenyl]-2-pyridinyl]phenyl]methanesulfonamide?
N-[3-[6-amino-5-cyano-4-[4-(diethylamino)phenyl]-2-pyridinyl]phenyl]methanesulfonamide has a molecular weight of 435.55 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-amino-5-cyano-4-[4-(diethylamino)phenyl]-2-pyridinyl]phenyl]methanesulfonamide is sourced from PubChem (CID 71625308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).