N-[2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]ethyl]pyridine-3-carboxamide

C17H22N4O3S — CID 133373984

IUPACN-[2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]ethyl]pyridine-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)c1ccc(NCCNC(=O)c2cccnc2)cn1
InChIInChI=1S/C17H22N4O3S/c1-17(2,3)25(23,24)15-7-6-14(12-21-15)19-9-10-20-16(22)13-5-4-8-18-11-13/h4-8,11-12,19H,9-10H2,1-3H3,(H,20,22)
InChIKeyVLUZYTMDBYSAES-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.89
Rot. Bonds6

About N-[2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]ethyl]pyridine-3-carboxamide

N-[2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]ethyl]pyridine-3-carboxamide (PubChem CID 133373984) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]ethyl]pyridine-3-carboxamide
PubChem CID133373984
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-[2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]ethyl]pyridine-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)c1ccc(NCCNC(=O)c2cccnc2)cn1
InChIInChI=1S/C17H22N4O3S/c1-17(2,3)25(23,24)15-7-6-14(12-21-15)19-9-10-20-16(22)13-5-4-8-18-11-13/h4-8,11-12,19H,9-10H2,1-3H3,(H,20,22)
InChIKeyVLUZYTMDBYSAES-UHFFFAOYSA-N
XLogP1.89
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]pyridine-3-carboxamide
CID 55690188
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 118210842
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 140896583
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-[2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]ethyl]pyridine-3-carboxamide
CID 110964693
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]pyridine-3-carboxamide
CID 113025531
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]ethyl]pyridine-3-carboxamide (CID 133373984) is N-[2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]ethyl]pyridine-3-carboxamide is CC(C)(C)S(=O)(=O)c1ccc(NCCNC(=O)c2cccnc2)cn1.
What is the InChIKey of N-[2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]ethyl]pyridine-3-carboxamide?
The InChIKey is VLUZYTMDBYSAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-17(2,3)25(23,24)15-7-6-14(12-21-15)19-9-10-20-16(22)13-5-4-8-18-11-13/h4-8,11-12,19H,9-10H2,1-3H3,(H,20,22).
What are the key properties of N-[2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]ethyl]pyridine-3-carboxamide?
N-[2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]ethyl]pyridine-3-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 133373984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).