1-[2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetyl]piperidine-4-carboxamide

C17H23N5O3 — CID 16669007

IUPAC1-[2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetyl]piperidine-4-carboxamide
SMILESCC(C)n1c(=O)n(CC(=O)N2CCC(C(N)=O)CC2)c2cccnc21
InChIInChI=1S/C17H23N5O3/c1-11(2)22-16-13(4-3-7-19-16)21(17(22)25)10-14(23)20-8-5-12(6-9-20)15(18)24/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H2,18,24)
InChIKeyKJKSFVDPRHKYIZ-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.50
Rot. Bonds4

About 1-[2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetyl]piperidine-4-carboxamide

1-[2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetyl]piperidine-4-carboxamide (PubChem CID 16669007) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetyl]piperidine-4-carboxamide
PubChem CID16669007
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name1-[2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetyl]piperidine-4-carboxamide
SMILESCC(C)n1c(=O)n(CC(=O)N2CCC(C(N)=O)CC2)c2cccnc21
InChIInChI=1S/C17H23N5O3/c1-11(2)22-16-13(4-3-7-19-16)21(17(22)25)10-14(23)20-8-5-12(6-9-20)15(18)24/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H2,18,24)
InChIKeyKJKSFVDPRHKYIZ-UHFFFAOYSA-N
XLogP0.50
TPSA103.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetyl]piperidine-4-carboxamide (CID 16669007) is 1-[2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetyl]piperidine-4-carboxamide is CC(C)n1c(=O)n(CC(=O)N2CCC(C(N)=O)CC2)c2cccnc21.
What is the InChIKey of 1-[2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is KJKSFVDPRHKYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-11(2)22-16-13(4-3-7-19-16)21(17(22)25)10-14(23)20-8-5-12(6-9-20)15(18)24/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H2,18,24).
What are the key properties of 1-[2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetyl]piperidine-4-carboxamide?
1-[2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 16669007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).