2-[4-methyl-2-(pyridine-2-carbonylamino)pentyl]sulfanylacetic acid

C14H20N2O3S — CID 23316646

IUPAC2-[4-methyl-2-(pyridine-2-carbonylamino)pentyl]sulfanylacetic acid
SMILESCC(C)CC(CSCC(=O)O)NC(=O)c1ccccn1
InChIInChI=1S/C14H20N2O3S/c1-10(2)7-11(8-20-9-13(17)18)16-14(19)12-5-3-4-6-15-12/h3-6,10-11H,7-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyJJCBVJUSPYBQSR-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.04
Rot. Bonds8

About 2-[4-methyl-2-(pyridine-2-carbonylamino)pentyl]sulfanylacetic acid

2-[4-methyl-2-(pyridine-2-carbonylamino)pentyl]sulfanylacetic acid (PubChem CID 23316646) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[4-methyl-2-(pyridine-2-carbonylamino)pentyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[4-methyl-2-(pyridine-2-carbonylamino)pentyl]sulfanylacetic acid
PubChem CID23316646
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[4-methyl-2-(pyridine-2-carbonylamino)pentyl]sulfanylacetic acid
SMILESCC(C)CC(CSCC(=O)O)NC(=O)c1ccccn1
InChIInChI=1S/C14H20N2O3S/c1-10(2)7-11(8-20-9-13(17)18)16-14(19)12-5-3-4-6-15-12/h3-6,10-11H,7-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyJJCBVJUSPYBQSR-UHFFFAOYSA-N
XLogP2.04
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-3-(pyridine-2-carbonylamino)heptanoic acid
CID 134329104
2-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]sulfanylacetic acid
CID 104570205
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
N-(2-amino-4-methylpentyl)pyridine-2-carboxamide
CID 107158631
N-(1-bromobutan-2-yl)pyridine-2-carboxamide
CID 114307782
N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-2-carboxamide
CID 55169382
(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054092
(2R,3R)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054086
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 103799099
N-[1-[2,6-bis(2-methylpropyl)phenyl]ethyl]pyridine-2-carboxamide
CID 72711320
N-(1-cyanopropan-2-yl)pyridine-2-carboxamide
CID 62090992

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(pyridine-2-carbonylamino)pentyl]sulfanylacetic acid?
The IUPAC name of 2-[4-methyl-2-(pyridine-2-carbonylamino)pentyl]sulfanylacetic acid (CID 23316646) is 2-[4-methyl-2-(pyridine-2-carbonylamino)pentyl]sulfanylacetic acid.
What is the SMILES notation for 2-[4-methyl-2-(pyridine-2-carbonylamino)pentyl]sulfanylacetic acid?
The canonical SMILES for 2-[4-methyl-2-(pyridine-2-carbonylamino)pentyl]sulfanylacetic acid is CC(C)CC(CSCC(=O)O)NC(=O)c1ccccn1.
What is the InChIKey of 2-[4-methyl-2-(pyridine-2-carbonylamino)pentyl]sulfanylacetic acid?
The InChIKey is JJCBVJUSPYBQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10(2)7-11(8-20-9-13(17)18)16-14(19)12-5-3-4-6-15-12/h3-6,10-11H,7-9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[4-methyl-2-(pyridine-2-carbonylamino)pentyl]sulfanylacetic acid?
2-[4-methyl-2-(pyridine-2-carbonylamino)pentyl]sulfanylacetic acid has a molecular weight of 296.39 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(pyridine-2-carbonylamino)pentyl]sulfanylacetic acid is sourced from PubChem (CID 23316646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).