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

C28H34N6O5S — CID 121251023

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(cyclopropylmethoxy)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(OCC4CC4)C3)n2)cn1
InChIInChI=1S/C28H34N6O5S/c1-18(2)39-25-13-10-20(15-30-25)23-12-11-22(28(35)33-40(36,37)26-7-3-6-24(29)32-26)27(31-23)34-14-4-5-21(16-34)38-17-19-8-9-19/h3,6-7,10-13,15,18-19,21H,4-5,8-9,14,16-17H2,1-2H3,(H2,29,32)(H,33,35)
InChIKeyJGOJLBZABSJNDB-UHFFFAOYSA-N
MW566.68 g/mol
LogP3.42
Rot. Bonds10

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

N-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(cyclopropylmethoxy)piperidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 121251023) has the molecular formula C28H34N6O5S and a molecular weight of 566.68 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(cyclopropylmethoxy)piperidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(cyclopropylmethoxy)piperidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
PubChem CID121251023
Molecular FormulaC28H34N6O5S
Molecular Weight566.68 g/mol
Exact Mass566.23
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(cyclopropylmethoxy)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(OCC4CC4)C3)n2)cn1
InChIInChI=1S/C28H34N6O5S/c1-18(2)39-25-13-10-20(15-30-25)23-12-11-22(28(35)33-40(36,37)26-7-3-6-24(29)32-26)27(31-23)34-14-4-5-21(16-34)38-17-19-8-9-19/h3,6-7,10-13,15,18-19,21H,4-5,8-9,14,16-17H2,1-2H3,(H2,29,32)(H,33,35)
InChIKeyJGOJLBZABSJNDB-UHFFFAOYSA-N
XLogP3.42
TPSA149.63 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.68
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(cyclopropylmethoxy)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-(cyclopropylmethoxy)piperidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (CID 121251023) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(cyclopropylmethoxy)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-(cyclopropylmethoxy)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-(cyclopropylmethoxy)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(OCC4CC4)C3)n2)cn1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(cyclopropylmethoxy)piperidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is JGOJLBZABSJNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O5S/c1-18(2)39-25-13-10-20(15-30-25)23-12-11-22(28(35)33-40(36,37)26-7-3-6-24(29)32-26)27(31-23)34-14-4-5-21(16-34)38-17-19-8-9-19/h3,6-7,10-13,15,18-19,21H,4-5,8-9,14,16-17H2,1-2H3,(H2,29,32)(H,33,35).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(cyclopropylmethoxy)piperidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(cyclopropylmethoxy)piperidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 566.68 g/mol, XLogP of 3.42, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(cyclopropylmethoxy)piperidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 121251023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).