N-(5-bromo-2-pyridinyl)-2-cyclopentylsulfanylpyridine-3-carboxamide

C16H16BrN3OS — CID 55874481

IUPACN-(5-bromo-2-pyridinyl)-2-cyclopentylsulfanylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1cccnc1SC1CCCC1
InChIInChI=1S/C16H16BrN3OS/c17-11-7-8-14(19-10-11)20-15(21)13-6-3-9-18-16(13)22-12-4-1-2-5-12/h3,6-10,12H,1-2,4-5H2,(H,19,20,21)
InChIKeyPYDRUYWVHQHTPN-UHFFFAOYSA-N
MW378.30 g/mol
LogP4.53
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-2-cyclopentylsulfanylpyridine-3-carboxamide

N-(5-bromo-2-pyridinyl)-2-cyclopentylsulfanylpyridine-3-carboxamide (PubChem CID 55874481) has the molecular formula C16H16BrN3OS and a molecular weight of 378.30 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-cyclopentylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-cyclopentylsulfanylpyridine-3-carboxamide
PubChem CID55874481
Molecular FormulaC16H16BrN3OS
Molecular Weight378.30 g/mol
Exact Mass377.02
IUPAC NameN-(5-bromo-2-pyridinyl)-2-cyclopentylsulfanylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1cccnc1SC1CCCC1
InChIInChI=1S/C16H16BrN3OS/c17-11-7-8-14(19-10-11)20-15(21)13-6-3-9-18-16(13)22-12-4-1-2-5-12/h3,6-10,12H,1-2,4-5H2,(H,19,20,21)
InChIKeyPYDRUYWVHQHTPN-UHFFFAOYSA-N
XLogP4.53
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-cyclopentylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-cyclopentylsulfanylpyridine-3-carboxamide (CID 55874481) is N-(5-bromo-2-pyridinyl)-2-cyclopentylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-cyclopentylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-cyclopentylsulfanylpyridine-3-carboxamide is O=C(Nc1ccc(Br)cn1)c1cccnc1SC1CCCC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-cyclopentylsulfanylpyridine-3-carboxamide?
The InChIKey is PYDRUYWVHQHTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3OS/c17-11-7-8-14(19-10-11)20-15(21)13-6-3-9-18-16(13)22-12-4-1-2-5-12/h3,6-10,12H,1-2,4-5H2,(H,19,20,21).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-cyclopentylsulfanylpyridine-3-carboxamide?
N-(5-bromo-2-pyridinyl)-2-cyclopentylsulfanylpyridine-3-carboxamide has a molecular weight of 378.30 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-cyclopentylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 55874481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).