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

C24H27FN6O4S — CID 121251807

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-fluoropiperidin-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(N3CCCC(F)C3)n2)cn1
InChIInChI=1S/C24H27FN6O4S/c1-15(2)35-21-11-8-16(13-27-21)19-10-9-18(23(28-19)31-12-4-5-17(25)14-31)24(32)30-36(33,34)22-7-3-6-20(26)29-22/h3,6-11,13,15,17H,4-5,12,14H2,1-2H3,(H2,26,29)(H,30,32)
InChIKeyKSDHUTLRKSCQQQ-UHFFFAOYSA-N
MW514.58 g/mol
LogP2.96
Rot. Bonds7

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

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-fluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 121251807) has the molecular formula C24H27FN6O4S and a molecular weight of 514.58 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-fluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-fluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
PubChem CID121251807
Molecular FormulaC24H27FN6O4S
Molecular Weight514.58 g/mol
Exact Mass514.18
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-fluoropiperidin-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(N3CCCC(F)C3)n2)cn1
InChIInChI=1S/C24H27FN6O4S/c1-15(2)35-21-11-8-16(13-27-21)19-10-9-18(23(28-19)31-12-4-5-17(25)14-31)24(32)30-36(33,34)22-7-3-6-20(26)29-22/h3,6-11,13,15,17H,4-5,12,14H2,1-2H3,(H2,26,29)(H,30,32)
InChIKeyKSDHUTLRKSCQQQ-UHFFFAOYSA-N
XLogP2.96
TPSA140.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.58
LogP ≤ 52.96
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]-2-(3-fluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-fluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (CID 121251807) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-fluoropiperidin-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-(3-fluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-fluoropiperidin-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(N3CCCC(F)C3)n2)cn1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-fluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is KSDHUTLRKSCQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O4S/c1-15(2)35-21-11-8-16(13-27-21)19-10-9-18(23(28-19)31-12-4-5-17(25)14-31)24(32)30-36(33,34)22-7-3-6-20(26)29-22/h3,6-11,13,15,17H,4-5,12,14H2,1-2H3,(H2,26,29)(H,30,32).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-fluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-fluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 514.58 g/mol, XLogP of 2.96, 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-(3-fluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 121251807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).