N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-fluoropyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide

C23H25FN6O4S — CID 155084157

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-fluoropyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCCC3F)n2)cn1
InChIInChI=1S/C23H25FN6O4S/c1-14(2)34-20-11-8-15(13-26-20)17-10-9-16(22(27-17)30-12-4-5-18(30)24)23(31)29-35(32,33)21-7-3-6-19(25)28-21/h3,6-11,13-14,18H,4-5,12H2,1-2H3,(H2,25,28)(H,29,31)
InChIKeyKIELGOWVNZQTDQ-UHFFFAOYSA-N
MW500.56 g/mol
LogP2.92
Rot. Bonds7

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-fluoropyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-fluoropyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 155084157) has the molecular formula C23H25FN6O4S and a molecular weight of 500.56 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-fluoropyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-fluoropyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
PubChem CID155084157
Molecular FormulaC23H25FN6O4S
Molecular Weight500.56 g/mol
Exact Mass500.16
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-fluoropyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCCC3F)n2)cn1
InChIInChI=1S/C23H25FN6O4S/c1-14(2)34-20-11-8-15(13-26-20)17-10-9-16(22(27-17)30-12-4-5-18(30)24)23(31)29-35(32,33)21-7-3-6-19(25)28-21/h3,6-11,13-14,18H,4-5,12H2,1-2H3,(H2,25,28)(H,29,31)
InChIKeyKIELGOWVNZQTDQ-UHFFFAOYSA-N
XLogP2.92
TPSA140.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.56
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-fluoropyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-fluoropyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (CID 155084157) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-fluoropyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-fluoropyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-fluoropyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide is CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCCC3F)n2)cn1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-fluoropyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is KIELGOWVNZQTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O4S/c1-14(2)34-20-11-8-15(13-26-20)17-10-9-16(22(27-17)30-12-4-5-18(30)24)23(31)29-35(32,33)21-7-3-6-19(25)28-21/h3,6-11,13-14,18H,4-5,12H2,1-2H3,(H2,25,28)(H,29,31).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-fluoropyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-fluoropyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 500.56 g/mol, XLogP of 2.92, 7 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]-2-(2-fluoropyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 155084157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).