N-(5-hydroxy-2-adamantyl)-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide

C20H29N3O2S — CID 71449567

IUPACN-(5-hydroxy-2-adamantyl)-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1nc(NC)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C20H29N3O2S/c1-3-6-26-19-15(4-5-16(21-2)22-19)18(24)23-17-13-7-12-8-14(17)11-20(25,9-12)10-13/h4-5,12-14,17,25H,3,6-11H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyRVUNIPZUTBSHTG-UHFFFAOYSA-N
MW375.54 g/mol
LogP3.29
Rot. Bonds6

About N-(5-hydroxy-2-adamantyl)-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide

N-(5-hydroxy-2-adamantyl)-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide (PubChem CID 71449567) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide
PubChem CID71449567
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC NameN-(5-hydroxy-2-adamantyl)-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1nc(NC)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C20H29N3O2S/c1-3-6-26-19-15(4-5-16(21-2)22-19)18(24)23-17-13-7-12-8-14(17)11-20(25,9-12)10-13/h4-5,12-14,17,25H,3,6-11H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyRVUNIPZUTBSHTG-UHFFFAOYSA-N
XLogP3.29
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-adamantyl)-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide (CID 71449567) is N-(5-hydroxy-2-adamantyl)-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide is CCCSc1nc(NC)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide?
The InChIKey is RVUNIPZUTBSHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2S/c1-3-6-26-19-15(4-5-16(21-2)22-19)18(24)23-17-13-7-12-8-14(17)11-20(25,9-12)10-13/h4-5,12-14,17,25H,3,6-11H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of N-(5-hydroxy-2-adamantyl)-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide?
N-(5-hydroxy-2-adamantyl)-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide has a molecular weight of 375.54 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-adamantyl)-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 71449567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).