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

C30H31ClN6O4S — CID 121251333

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(3-chlorophenyl)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(c4cccc(Cl)c4)C3)n2)cn1
InChIInChI=1S/C30H31ClN6O4S/c1-19(2)41-27-14-11-21(17-33-27)25-13-12-24(30(38)36-42(39,40)28-10-4-9-26(32)35-28)29(34-25)37-15-5-7-22(18-37)20-6-3-8-23(31)16-20/h3-4,6,8-14,16-17,19,22H,5,7,15,18H2,1-2H3,(H2,32,35)(H,36,38)
InChIKeyDOPWLOULQXTSLT-UHFFFAOYSA-N
MW607.14 g/mol
LogP5.06
Rot. Bonds8

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

N-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(3-chlorophenyl)piperidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 121251333) has the molecular formula C30H31ClN6O4S and a molecular weight of 607.14 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(3-chlorophenyl)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-chlorophenyl)piperidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
PubChem CID121251333
Molecular FormulaC30H31ClN6O4S
Molecular Weight607.14 g/mol
Exact Mass606.18
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(3-chlorophenyl)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(c4cccc(Cl)c4)C3)n2)cn1
InChIInChI=1S/C30H31ClN6O4S/c1-19(2)41-27-14-11-21(17-33-27)25-13-12-24(30(38)36-42(39,40)28-10-4-9-26(32)35-28)29(34-25)37-15-5-7-22(18-37)20-6-3-8-23(31)16-20/h3-4,6,8-14,16-17,19,22H,5,7,15,18H2,1-2H3,(H2,32,35)(H,36,38)
InChIKeyDOPWLOULQXTSLT-UHFFFAOYSA-N
XLogP5.06
TPSA140.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.14
LogP ≤ 55.06
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-chlorophenyl)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-chlorophenyl)piperidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (CID 121251333) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(3-chlorophenyl)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-chlorophenyl)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-chlorophenyl)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(c4cccc(Cl)c4)C3)n2)cn1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(3-chlorophenyl)piperidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is DOPWLOULQXTSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN6O4S/c1-19(2)41-27-14-11-21(17-33-27)25-13-12-24(30(38)36-42(39,40)28-10-4-9-26(32)35-28)29(34-25)37-15-5-7-22(18-37)20-6-3-8-23(31)16-20/h3-4,6,8-14,16-17,19,22H,5,7,15,18H2,1-2H3,(H2,32,35)(H,36,38).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(3-chlorophenyl)piperidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(3-chlorophenyl)piperidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 607.14 g/mol, XLogP of 5.06, 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-chlorophenyl)piperidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 121251333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).