N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C32H45N5O3S — CID 121251470

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2nc(C(C)(C)C)c(C3=CC4CCC3(C)C4(C)C)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
InChIInChI=1S/C32H45N5O3S/c1-19-17-30(5,6)37(18-19)27-22(28(38)36-41(39,40)25-12-10-11-24(33)34-25)16-21(26(35-27)29(2,3)4)23-15-20-13-14-32(23,9)31(20,7)8/h10-12,15-16,19-20H,13-14,17-18H2,1-9H3,(H2,33,34)(H,36,38)
InChIKeyBZIQYDPTPNFIEL-UHFFFAOYSA-N
MW579.81 g/mol
LogP5.94
Rot. Bonds5

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121251470) has the molecular formula C32H45N5O3S and a molecular weight of 579.81 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID121251470
Molecular FormulaC32H45N5O3S
Molecular Weight579.81 g/mol
Exact Mass579.32
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2nc(C(C)(C)C)c(C3=CC4CCC3(C)C4(C)C)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
InChIInChI=1S/C32H45N5O3S/c1-19-17-30(5,6)37(18-19)27-22(28(38)36-41(39,40)25-12-10-11-24(33)34-25)16-21(26(35-27)29(2,3)4)23-15-20-13-14-32(23,9)31(20,7)8/h10-12,15-16,19-20H,13-14,17-18H2,1-9H3,(H2,33,34)(H,36,38)
InChIKeyBZIQYDPTPNFIEL-UHFFFAOYSA-N
XLogP5.94
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.81
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121251470) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2nc(C(C)(C)C)c(C3=CC4CCC3(C)C4(C)C)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is BZIQYDPTPNFIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N5O3S/c1-19-17-30(5,6)37(18-19)27-22(28(38)36-41(39,40)25-12-10-11-24(33)34-25)16-21(26(35-27)29(2,3)4)23-15-20-13-14-32(23,9)31(20,7)8/h10-12,15-16,19-20H,13-14,17-18H2,1-9H3,(H2,33,34)(H,36,38).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 579.81 g/mol, XLogP of 5.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121251470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).