N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(diethylamino)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C27H35N7O3S — CID 121250505

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(diethylamino)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCCN(CC)c1cccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CC(C)CC3(C)C)n2)n1
InChIInChI=1S/C27H35N7O3S/c1-6-33(7-2)23-12-8-10-20(29-23)21-15-14-19(25(30-21)34-17-18(3)16-27(34,4)5)26(35)32-38(36,37)24-13-9-11-22(28)31-24/h8-15,18H,6-7,16-17H2,1-5H3,(H2,28,31)(H,32,35)
InChIKeyYRNYPBQWGRMQBU-UHFFFAOYSA-N
MW537.69 g/mol
LogP3.71
Rot. Bonds8

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(diethylamino)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(diethylamino)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121250505) has the molecular formula C27H35N7O3S and a molecular weight of 537.69 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(diethylamino)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(diethylamino)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID121250505
Molecular FormulaC27H35N7O3S
Molecular Weight537.69 g/mol
Exact Mass537.25
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(diethylamino)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCCN(CC)c1cccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CC(C)CC3(C)C)n2)n1
InChIInChI=1S/C27H35N7O3S/c1-6-33(7-2)23-12-8-10-20(29-23)21-15-14-19(25(30-21)34-17-18(3)16-27(34,4)5)26(35)32-38(36,37)24-13-9-11-22(28)31-24/h8-15,18H,6-7,16-17H2,1-5H3,(H2,28,31)(H,32,35)
InChIKeyYRNYPBQWGRMQBU-UHFFFAOYSA-N
XLogP3.71
TPSA134.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.69
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(diethylamino)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(diethylamino)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121250505) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(diethylamino)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(diethylamino)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(diethylamino)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CCN(CC)c1cccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CC(C)CC3(C)C)n2)n1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(diethylamino)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is YRNYPBQWGRMQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O3S/c1-6-33(7-2)23-12-8-10-20(29-23)21-15-14-19(25(30-21)34-17-18(3)16-27(34,4)5)26(35)32-38(36,37)24-13-9-11-22(28)31-24/h8-15,18H,6-7,16-17H2,1-5H3,(H2,28,31)(H,32,35).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(diethylamino)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(diethylamino)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 537.69 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(diethylamino)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121250505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).