N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide

C22H29N5O2S — CID 134384645

IUPACN-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)Nc1nc(CC(=O)N2CCC(N3CCCC3)CC2)cs1
InChIInChI=1S/C22H29N5O2S/c28-20(6-5-17-4-3-9-23-15-17)25-22-24-18(16-30-22)14-21(29)27-12-7-19(8-13-27)26-10-1-2-11-26/h3-4,9,15-16,19H,1-2,5-8,10-14H2,(H,24,25,28)
InChIKeyJCJPXRCPRHRJSE-UHFFFAOYSA-N
MW427.57 g/mol
LogP2.74
Rot. Bonds7

About N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide

N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide (PubChem CID 134384645) has the molecular formula C22H29N5O2S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
PubChem CID134384645
Molecular FormulaC22H29N5O2S
Molecular Weight427.57 g/mol
Exact Mass427.20
IUPAC NameN-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)Nc1nc(CC(=O)N2CCC(N3CCCC3)CC2)cs1
InChIInChI=1S/C22H29N5O2S/c28-20(6-5-17-4-3-9-23-15-17)25-22-24-18(16-30-22)14-21(29)27-12-7-19(8-13-27)26-10-1-2-11-26/h3-4,9,15-16,19H,1-2,5-8,10-14H2,(H,24,25,28)
InChIKeyJCJPXRCPRHRJSE-UHFFFAOYSA-N
XLogP2.74
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide (CID 134384645) is N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide is O=C(CCc1cccnc1)Nc1nc(CC(=O)N2CCC(N3CCCC3)CC2)cs1.
What is the InChIKey of N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide?
The InChIKey is JCJPXRCPRHRJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2S/c28-20(6-5-17-4-3-9-23-15-17)25-22-24-18(16-30-22)14-21(29)27-12-7-19(8-13-27)26-10-1-2-11-26/h3-4,9,15-16,19H,1-2,5-8,10-14H2,(H,24,25,28).
What are the key properties of N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide?
N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide has a molecular weight of 427.57 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 134384645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).