5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridine-3-sulfonamide

C27H30N4O4S — CID 164621471

IUPAC5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridine-3-sulfonamide
SMILESCOc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3CCCC3)cc2)c1
InChIInChI=1S/C27H30N4O4S/c1-34-27-26(15-24(17-29-27)22-8-12-35-13-9-22)36(32,33)30-25-14-23(16-28-18-25)21-6-4-20(5-7-21)19-31-10-2-3-11-31/h4-8,14-18,30H,2-3,9-13,19H2,1H3
InChIKeyJYXMRJMVWFEYNI-UHFFFAOYSA-N
MW506.63 g/mol
LogP4.35
Rot. Bonds8

About 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridine-3-sulfonamide

5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridine-3-sulfonamide (PubChem CID 164621471) has the molecular formula C27H30N4O4S and a molecular weight of 506.63 g/mol. Its IUPAC name is 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridine-3-sulfonamide
PubChem CID164621471
Molecular FormulaC27H30N4O4S
Molecular Weight506.63 g/mol
Exact Mass506.20
IUPAC Name5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridine-3-sulfonamide
SMILESCOc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3CCCC3)cc2)c1
InChIInChI=1S/C27H30N4O4S/c1-34-27-26(15-24(17-29-27)22-8-12-35-13-9-22)36(32,33)30-25-14-23(16-28-18-25)21-6-4-20(5-7-21)19-31-10-2-3-11-31/h4-8,14-18,30H,2-3,9-13,19H2,1H3
InChIKeyJYXMRJMVWFEYNI-UHFFFAOYSA-N
XLogP4.35
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.63
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridine-3-sulfonamide?
The IUPAC name of 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridine-3-sulfonamide (CID 164621471) is 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridine-3-sulfonamide is COc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3CCCC3)cc2)c1.
What is the InChIKey of 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridine-3-sulfonamide?
The InChIKey is JYXMRJMVWFEYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4S/c1-34-27-26(15-24(17-29-27)22-8-12-35-13-9-22)36(32,33)30-25-14-23(16-28-18-25)21-6-4-20(5-7-21)19-31-10-2-3-11-31/h4-8,14-18,30H,2-3,9-13,19H2,1H3.
What are the key properties of 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridine-3-sulfonamide?
5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridine-3-sulfonamide has a molecular weight of 506.63 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridine-3-sulfonamide is sourced from PubChem (CID 164621471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).