N-benzyl-2,2-dimethyl-N-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]propanamide

C25H31N5O3 — CID 164612289

IUPACN-benzyl-2,2-dimethyl-N-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]propanamide
SMILESCC(C)(C)C(=O)N(CC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1)Cc1ccccc1
InChIInChI=1S/C25H31N5O3/c1-25(2,3)23(32)29(16-18-8-5-4-6-9-18)17-21(31)28-14-11-19(12-15-28)30-20-10-7-13-26-22(20)27-24(30)33/h4-10,13,19H,11-12,14-17H2,1-3H3,(H,26,27,33)
InChIKeyUUWRECCUXIPDCB-UHFFFAOYSA-N
MW449.56 g/mol
LogP2.96
Rot. Bonds5

About N-benzyl-2,2-dimethyl-N-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]propanamide

N-benzyl-2,2-dimethyl-N-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]propanamide (PubChem CID 164612289) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-benzyl-2,2-dimethyl-N-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-benzyl-2,2-dimethyl-N-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]propanamide
PubChem CID164612289
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC NameN-benzyl-2,2-dimethyl-N-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]propanamide
SMILESCC(C)(C)C(=O)N(CC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1)Cc1ccccc1
InChIInChI=1S/C25H31N5O3/c1-25(2,3)23(32)29(16-18-8-5-4-6-9-18)17-21(31)28-14-11-19(12-15-28)30-20-10-7-13-26-22(20)27-24(30)33/h4-10,13,19H,11-12,14-17H2,1-3H3,(H,26,27,33)
InChIKeyUUWRECCUXIPDCB-UHFFFAOYSA-N
XLogP2.96
TPSA91.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethyl-N-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]propanamide?
The IUPAC name of N-benzyl-2,2-dimethyl-N-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]propanamide (CID 164612289) is N-benzyl-2,2-dimethyl-N-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]propanamide.
What is the SMILES notation for N-benzyl-2,2-dimethyl-N-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]propanamide?
The canonical SMILES for N-benzyl-2,2-dimethyl-N-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]propanamide is CC(C)(C)C(=O)N(CC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1)Cc1ccccc1.
What is the InChIKey of N-benzyl-2,2-dimethyl-N-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]propanamide?
The InChIKey is UUWRECCUXIPDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-25(2,3)23(32)29(16-18-8-5-4-6-9-18)17-21(31)28-14-11-19(12-15-28)30-20-10-7-13-26-22(20)27-24(30)33/h4-10,13,19H,11-12,14-17H2,1-3H3,(H,26,27,33).
What are the key properties of N-benzyl-2,2-dimethyl-N-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]propanamide?
N-benzyl-2,2-dimethyl-N-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]propanamide has a molecular weight of 449.56 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethyl-N-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]propanamide is sourced from PubChem (CID 164612289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).