N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide

C30H32N6O4S — CID 121250780

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylpiperidin-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(N3CCC(c4ccccc4)CC3)n2)cn1
InChIInChI=1S/C30H32N6O4S/c1-20(2)40-27-14-11-23(19-32-27)25-13-12-24(30(37)35-41(38,39)28-10-6-9-26(31)34-28)29(33-25)36-17-15-22(16-18-36)21-7-4-3-5-8-21/h3-14,19-20,22H,15-18H2,1-2H3,(H2,31,34)(H,35,37)
InChIKeyBQQFNUZMRQQIHN-UHFFFAOYSA-N
MW572.69 g/mol
LogP4.41
Rot. Bonds8

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 121250780) has the molecular formula C30H32N6O4S and a molecular weight of 572.69 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
PubChem CID121250780
Molecular FormulaC30H32N6O4S
Molecular Weight572.69 g/mol
Exact Mass572.22
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylpiperidin-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(N3CCC(c4ccccc4)CC3)n2)cn1
InChIInChI=1S/C30H32N6O4S/c1-20(2)40-27-14-11-23(19-32-27)25-13-12-24(30(37)35-41(38,39)28-10-6-9-26(31)34-28)29(33-25)36-17-15-22(16-18-36)21-7-4-3-5-8-21/h3-14,19-20,22H,15-18H2,1-2H3,(H2,31,34)(H,35,37)
InChIKeyBQQFNUZMRQQIHN-UHFFFAOYSA-N
XLogP4.41
TPSA140.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.69
LogP ≤ 54.41
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-(4-phenylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (CID 121250780) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylpiperidin-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-(4-phenylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylpiperidin-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(N3CCC(c4ccccc4)CC3)n2)cn1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is BQQFNUZMRQQIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O4S/c1-20(2)40-27-14-11-23(19-32-27)25-13-12-24(30(37)35-41(38,39)28-10-6-9-26(31)34-28)29(33-25)36-17-15-22(16-18-36)21-7-4-3-5-8-21/h3-14,19-20,22H,15-18H2,1-2H3,(H2,31,34)(H,35,37).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 572.69 g/mol, XLogP of 4.41, 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]-2-(4-phenylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 121250780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).