N-cycloheptyl-2-phenylsulfanylpyridine-3-carboxamide

C19H22N2OS — CID 2448573

IUPACN-cycloheptyl-2-phenylsulfanylpyridine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C19H22N2OS/c22-18(21-15-9-4-1-2-5-10-15)17-13-8-14-20-19(17)23-16-11-6-3-7-12-16/h3,6-8,11-15H,1-2,4-5,9-10H2,(H,21,22)
InChIKeyHDRBRDNWPACYAG-UHFFFAOYSA-N
MW326.46 g/mol
LogP4.69
Rot. Bonds4

About N-cycloheptyl-2-phenylsulfanylpyridine-3-carboxamide

N-cycloheptyl-2-phenylsulfanylpyridine-3-carboxamide (PubChem CID 2448573) has the molecular formula C19H22N2OS and a molecular weight of 326.46 g/mol. Its IUPAC name is N-cycloheptyl-2-phenylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-phenylsulfanylpyridine-3-carboxamide
PubChem CID2448573
Molecular FormulaC19H22N2OS
Molecular Weight326.46 g/mol
Exact Mass326.15
IUPAC NameN-cycloheptyl-2-phenylsulfanylpyridine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C19H22N2OS/c22-18(21-15-9-4-1-2-5-10-15)17-13-8-14-20-19(17)23-16-11-6-3-7-12-16/h3,6-8,11-15H,1-2,4-5,9-10H2,(H,21,22)
InChIKeyHDRBRDNWPACYAG-UHFFFAOYSA-N
XLogP4.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-phenylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-2-phenylsulfanylpyridine-3-carboxamide (CID 2448573) is N-cycloheptyl-2-phenylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-phenylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-2-phenylsulfanylpyridine-3-carboxamide is O=C(NC1CCCCCC1)c1cccnc1Sc1ccccc1.
What is the InChIKey of N-cycloheptyl-2-phenylsulfanylpyridine-3-carboxamide?
The InChIKey is HDRBRDNWPACYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c22-18(21-15-9-4-1-2-5-10-15)17-13-8-14-20-19(17)23-16-11-6-3-7-12-16/h3,6-8,11-15H,1-2,4-5,9-10H2,(H,21,22).
What are the key properties of N-cycloheptyl-2-phenylsulfanylpyridine-3-carboxamide?
N-cycloheptyl-2-phenylsulfanylpyridine-3-carboxamide has a molecular weight of 326.46 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-phenylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2448573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).