N-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide

C15H23N3OS — CID 86784550

IUPACN-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)Sc1cc(CNC(=O)C2CCCN2)ccn1
InChIInChI=1S/C15H23N3OS/c1-15(2,3)20-13-9-11(6-8-17-13)10-18-14(19)12-5-4-7-16-12/h6,8-9,12,16H,4-5,7,10H2,1-3H3,(H,18,19)
InChIKeyOBGZLCPNAAOTQX-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.34
Rot. Bonds4

About N-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide

N-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 86784550) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide
PubChem CID86784550
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)Sc1cc(CNC(=O)C2CCCN2)ccn1
InChIInChI=1S/C15H23N3OS/c1-15(2,3)20-13-9-11(6-8-17-13)10-18-14(19)12-5-4-7-16-12/h6,8-9,12,16H,4-5,7,10H2,1-3H3,(H,18,19)
InChIKeyOBGZLCPNAAOTQX-UHFFFAOYSA-N
XLogP2.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide (CID 86784550) is N-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide is CC(C)(C)Sc1cc(CNC(=O)C2CCCN2)ccn1.
What is the InChIKey of N-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is OBGZLCPNAAOTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-15(2,3)20-13-9-11(6-8-17-13)10-18-14(19)12-5-4-7-16-12/h6,8-9,12,16H,4-5,7,10H2,1-3H3,(H,18,19).
What are the key properties of N-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide?
N-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 293.44 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 86784550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).