N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

C14H15N3O2S — CID 71937612

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESCc1ncc(CNC(=O)c2cc3c([nH]c2=O)CCC3)s1
InChIInChI=1S/C14H15N3O2S/c1-8-15-6-10(20-8)7-16-13(18)11-5-9-3-2-4-12(9)17-14(11)19/h5-6H,2-4,7H2,1H3,(H,16,18)(H,17,19)
InChIKeyHAMIROCEILTNRX-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.56
Rot. Bonds3

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (PubChem CID 71937612) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
PubChem CID71937612
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESCc1ncc(CNC(=O)c2cc3c([nH]c2=O)CCC3)s1
InChIInChI=1S/C14H15N3O2S/c1-8-15-6-10(20-8)7-16-13(18)11-5-9-3-2-4-12(9)17-14(11)19/h5-6H,2-4,7H2,1H3,(H,16,18)(H,17,19)
InChIKeyHAMIROCEILTNRX-UHFFFAOYSA-N
XLogP1.56
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (CID 71937612) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is Cc1ncc(CNC(=O)c2cc3c([nH]c2=O)CCC3)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The InChIKey is HAMIROCEILTNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-8-15-6-10(20-8)7-16-13(18)11-5-9-3-2-4-12(9)17-14(11)19/h5-6H,2-4,7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 71937612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).