N-[2-[2-[(1-methylpiperidin-4-yl)amino]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]ethyl]acetamide

C16H26N6O — CID 67871357

IUPACN-[2-[2-[(1-methylpiperidin-4-yl)amino]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1c2cccnc2NC1NC1CCN(C)CC1
InChIInChI=1S/C16H26N6O/c1-12(23)17-8-11-22-14-4-3-7-18-15(14)20-16(22)19-13-5-9-21(2)10-6-13/h3-4,7,13,16,19H,5-6,8-11H2,1-2H3,(H,17,23)(H,18,20)
InChIKeyFESCSOPQQLUFOE-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.42
Rot. Bonds5

About N-[2-[2-[(1-methylpiperidin-4-yl)amino]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]ethyl]acetamide

N-[2-[2-[(1-methylpiperidin-4-yl)amino]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]ethyl]acetamide (PubChem CID 67871357) has the molecular formula C16H26N6O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[2-[2-[(1-methylpiperidin-4-yl)amino]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[(1-methylpiperidin-4-yl)amino]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]ethyl]acetamide
PubChem CID67871357
Molecular FormulaC16H26N6O
Molecular Weight318.42 g/mol
Exact Mass318.22
IUPAC NameN-[2-[2-[(1-methylpiperidin-4-yl)amino]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1c2cccnc2NC1NC1CCN(C)CC1
InChIInChI=1S/C16H26N6O/c1-12(23)17-8-11-22-14-4-3-7-18-15(14)20-16(22)19-13-5-9-21(2)10-6-13/h3-4,7,13,16,19H,5-6,8-11H2,1-2H3,(H,17,23)(H,18,20)
InChIKeyFESCSOPQQLUFOE-UHFFFAOYSA-N
XLogP0.42
TPSA72.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(1-methylpiperidin-4-yl)amino]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-[(1-methylpiperidin-4-yl)amino]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]ethyl]acetamide (CID 67871357) is N-[2-[2-[(1-methylpiperidin-4-yl)amino]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[(1-methylpiperidin-4-yl)amino]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[(1-methylpiperidin-4-yl)amino]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]ethyl]acetamide is CC(=O)NCCN1c2cccnc2NC1NC1CCN(C)CC1.
What is the InChIKey of N-[2-[2-[(1-methylpiperidin-4-yl)amino]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]ethyl]acetamide?
The InChIKey is FESCSOPQQLUFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O/c1-12(23)17-8-11-22-14-4-3-7-18-15(14)20-16(22)19-13-5-9-21(2)10-6-13/h3-4,7,13,16,19H,5-6,8-11H2,1-2H3,(H,17,23)(H,18,20).
What are the key properties of N-[2-[2-[(1-methylpiperidin-4-yl)amino]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]ethyl]acetamide?
N-[2-[2-[(1-methylpiperidin-4-yl)amino]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]ethyl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(1-methylpiperidin-4-yl)amino]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]ethyl]acetamide is sourced from PubChem (CID 67871357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).