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

C30H30F2N6O4S — CID 121253595

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(3,4-difluorophenyl)piperidin-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(c4ccc(F)c(F)c4)C3)n2)cn1
InChIInChI=1S/C30H30F2N6O4S/c1-18(2)42-27-13-9-20(16-34-27)25-12-10-22(30(39)37-43(40,41)28-7-3-6-26(33)36-28)29(35-25)38-14-4-5-21(17-38)19-8-11-23(31)24(32)15-19/h3,6-13,15-16,18,21H,4-5,14,17H2,1-2H3,(H2,33,36)(H,37,39)
InChIKeyWALVGZZKLWPWRA-UHFFFAOYSA-N
MW608.67 g/mol
LogP4.69
Rot. Bonds8

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

N-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(3,4-difluorophenyl)piperidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 121253595) has the molecular formula C30H30F2N6O4S and a molecular weight of 608.67 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(3,4-difluorophenyl)piperidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(3,4-difluorophenyl)piperidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
PubChem CID121253595
Molecular FormulaC30H30F2N6O4S
Molecular Weight608.67 g/mol
Exact Mass608.20
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(3,4-difluorophenyl)piperidin-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(c4ccc(F)c(F)c4)C3)n2)cn1
InChIInChI=1S/C30H30F2N6O4S/c1-18(2)42-27-13-9-20(16-34-27)25-12-10-22(30(39)37-43(40,41)28-7-3-6-26(33)36-28)29(35-25)38-14-4-5-21(17-38)19-8-11-23(31)24(32)15-19/h3,6-13,15-16,18,21H,4-5,14,17H2,1-2H3,(H2,33,36)(H,37,39)
InChIKeyWALVGZZKLWPWRA-UHFFFAOYSA-N
XLogP4.69
TPSA140.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.67
LogP ≤ 54.69
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-(3,4-difluorophenyl)piperidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(3,4-difluorophenyl)piperidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (CID 121253595) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(3,4-difluorophenyl)piperidin-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-(3,4-difluorophenyl)piperidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(3,4-difluorophenyl)piperidin-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(c4ccc(F)c(F)c4)C3)n2)cn1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(3,4-difluorophenyl)piperidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is WALVGZZKLWPWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N6O4S/c1-18(2)42-27-13-9-20(16-34-27)25-12-10-22(30(39)37-43(40,41)28-7-3-6-26(33)36-28)29(35-25)38-14-4-5-21(17-38)19-8-11-23(31)24(32)15-19/h3,6-13,15-16,18,21H,4-5,14,17H2,1-2H3,(H2,33,36)(H,37,39).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(3,4-difluorophenyl)piperidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(3,4-difluorophenyl)piperidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 608.67 g/mol, XLogP of 4.69, 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-[3-(3,4-difluorophenyl)piperidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 121253595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).