N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide

C19H27N3O2S — CID 71608663

IUPACN-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1nc(NC)ccc1C(=O)N[C@@H]1[C@@H]2CC3C[C@@](O)(C2)C[C@H]31
InChIInChI=1S/C19H27N3O2S/c1-3-6-25-18-13(4-5-15(20-2)21-18)17(23)22-16-12-7-11-8-19(24,9-12)10-14(11)16/h4-5,11-12,14,16,24H,3,6-10H2,1-2H3,(H,20,21)(H,22,23)/t11?,12-,14-,16-,19-/m1/s1
InChIKeyARQSOFWSUWAESN-YDNRXPSNSA-N
MW361.51 g/mol
LogP2.90
Rot. Bonds6

About N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide

N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide (PubChem CID 71608663) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide
PubChem CID71608663
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1nc(NC)ccc1C(=O)N[C@@H]1[C@@H]2CC3C[C@@](O)(C2)C[C@H]31
InChIInChI=1S/C19H27N3O2S/c1-3-6-25-18-13(4-5-15(20-2)21-18)17(23)22-16-12-7-11-8-19(24,9-12)10-14(11)16/h4-5,11-12,14,16,24H,3,6-10H2,1-2H3,(H,20,21)(H,22,23)/t11?,12-,14-,16-,19-/m1/s1
InChIKeyARQSOFWSUWAESN-YDNRXPSNSA-N
XLogP2.90
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide (CID 71608663) is N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide is CCCSc1nc(NC)ccc1C(=O)N[C@@H]1[C@@H]2CC3C[C@@](O)(C2)C[C@H]31.
What is the InChIKey of N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide?
The InChIKey is ARQSOFWSUWAESN-YDNRXPSNSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-3-6-25-18-13(4-5-15(20-2)21-18)17(23)22-16-12-7-11-8-19(24,9-12)10-14(11)16/h4-5,11-12,14,16,24H,3,6-10H2,1-2H3,(H,20,21)(H,22,23)/t11?,12-,14-,16-,19-/m1/s1.
What are the key properties of N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide?
N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide has a molecular weight of 361.51 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 71608663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).