2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide

C17H29N5O — CID 53194848

IUPAC2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
SMILESCC1CCCN(CCNC(=O)CN2CCc3ncn(C)c3C2)C1
InChIInChI=1S/C17H29N5O/c1-14-4-3-7-21(10-14)9-6-18-17(23)12-22-8-5-15-16(11-22)20(2)13-19-15/h13-14H,3-12H2,1-2H3,(H,18,23)
InChIKeyAILNSTWEXRBREH-UHFFFAOYSA-N
MW319.45 g/mol
LogP0.63
Rot. Bonds5

About 2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide

2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide (PubChem CID 53194848) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
PubChem CID53194848
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
SMILESCC1CCCN(CCNC(=O)CN2CCc3ncn(C)c3C2)C1
InChIInChI=1S/C17H29N5O/c1-14-4-3-7-21(10-14)9-6-18-17(23)12-22-8-5-15-16(11-22)20(2)13-19-15/h13-14H,3-12H2,1-2H3,(H,18,23)
InChIKeyAILNSTWEXRBREH-UHFFFAOYSA-N
XLogP0.63
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide (CID 53194848) is 2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide is CC1CCCN(CCNC(=O)CN2CCc3ncn(C)c3C2)C1.
What is the InChIKey of 2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide?
The InChIKey is AILNSTWEXRBREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-14-4-3-7-21(10-14)9-6-18-17(23)12-22-8-5-15-16(11-22)20(2)13-19-15/h13-14H,3-12H2,1-2H3,(H,18,23).
What are the key properties of 2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide?
2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide has a molecular weight of 319.45 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 53194848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).