N-cyclopentyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide

C15H16N4OS — CID 71690319

IUPACN-cyclopentyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide
SMILESO=C(NC1CCCC1)c1cc(Sc2ncccn2)ccn1
InChIInChI=1S/C15H16N4OS/c20-14(19-11-4-1-2-5-11)13-10-12(6-9-16-13)21-15-17-7-3-8-18-15/h3,6-11H,1-2,4-5H2,(H,19,20)
InChIKeyKVFLCQWKQIOJBD-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.70
Rot. Bonds4

About N-cyclopentyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide

N-cyclopentyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide (PubChem CID 71690319) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-cyclopentyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide
PubChem CID71690319
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-cyclopentyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide
SMILESO=C(NC1CCCC1)c1cc(Sc2ncccn2)ccn1
InChIInChI=1S/C15H16N4OS/c20-14(19-11-4-1-2-5-11)13-10-12(6-9-16-13)21-15-17-7-3-8-18-15/h3,6-11H,1-2,4-5H2,(H,19,20)
InChIKeyKVFLCQWKQIOJBD-UHFFFAOYSA-N
XLogP2.70
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide?
The IUPAC name of N-cyclopentyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide (CID 71690319) is N-cyclopentyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide?
The canonical SMILES for N-cyclopentyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide is O=C(NC1CCCC1)c1cc(Sc2ncccn2)ccn1.
What is the InChIKey of N-cyclopentyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide?
The InChIKey is KVFLCQWKQIOJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c20-14(19-11-4-1-2-5-11)13-10-12(6-9-16-13)21-15-17-7-3-8-18-15/h3,6-11H,1-2,4-5H2,(H,19,20).
What are the key properties of N-cyclopentyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide?
N-cyclopentyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide has a molecular weight of 300.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide is sourced from PubChem (CID 71690319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).