N-[2-ethyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-3-yl]-3-piperidin-1-ylpropanamide

C23H27N5O2S — CID 58733682

IUPACN-[2-ethyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-3-yl]-3-piperidin-1-ylpropanamide
SMILESCCc1[nH]c(=O)c(-c2csc(-c3ccncc3)n2)cc1NC(=O)CCN1CCCCC1
InChIInChI=1S/C23H27N5O2S/c1-2-18-19(25-21(29)8-13-28-11-4-3-5-12-28)14-17(22(30)26-18)20-15-31-23(27-20)16-6-9-24-10-7-16/h6-7,9-10,14-15H,2-5,8,11-13H2,1H3,(H,25,29)(H,26,30)
InChIKeyTXGBUMNSSZKXCS-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.94
Rot. Bonds7

About N-[2-ethyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-3-yl]-3-piperidin-1-ylpropanamide

N-[2-ethyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-3-yl]-3-piperidin-1-ylpropanamide (PubChem CID 58733682) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[2-ethyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-3-yl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-ethyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-3-yl]-3-piperidin-1-ylpropanamide
PubChem CID58733682
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC NameN-[2-ethyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-3-yl]-3-piperidin-1-ylpropanamide
SMILESCCc1[nH]c(=O)c(-c2csc(-c3ccncc3)n2)cc1NC(=O)CCN1CCCCC1
InChIInChI=1S/C23H27N5O2S/c1-2-18-19(25-21(29)8-13-28-11-4-3-5-12-28)14-17(22(30)26-18)20-15-31-23(27-20)16-6-9-24-10-7-16/h6-7,9-10,14-15H,2-5,8,11-13H2,1H3,(H,25,29)(H,26,30)
InChIKeyTXGBUMNSSZKXCS-UHFFFAOYSA-N
XLogP3.94
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-3-yl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[2-ethyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-3-yl]-3-piperidin-1-ylpropanamide (CID 58733682) is N-[2-ethyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-3-yl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[2-ethyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-3-yl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[2-ethyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-3-yl]-3-piperidin-1-ylpropanamide is CCc1[nH]c(=O)c(-c2csc(-c3ccncc3)n2)cc1NC(=O)CCN1CCCCC1.
What is the InChIKey of N-[2-ethyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-3-yl]-3-piperidin-1-ylpropanamide?
The InChIKey is TXGBUMNSSZKXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-2-18-19(25-21(29)8-13-28-11-4-3-5-12-28)14-17(22(30)26-18)20-15-31-23(27-20)16-6-9-24-10-7-16/h6-7,9-10,14-15H,2-5,8,11-13H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[2-ethyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-3-yl]-3-piperidin-1-ylpropanamide?
N-[2-ethyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-3-yl]-3-piperidin-1-ylpropanamide has a molecular weight of 437.57 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-3-yl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 58733682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).