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

C17H26N4O2 — CID 53190998

IUPACN-[[5-(cyclohexanecarbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nc2c(n1C)CN(C(=O)C1CCCCC1)CC2
InChIInChI=1S/C17H26N4O2/c1-12(22)18-10-16-19-14-8-9-21(11-15(14)20(16)2)17(23)13-6-4-3-5-7-13/h13H,3-11H2,1-2H3,(H,18,22)
InChIKeyOHXCWGCKIXRTIP-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.52
Rot. Bonds3

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

N-[[5-(cyclohexanecarbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide (PubChem CID 53190998) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[[5-(cyclohexanecarbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-(cyclohexanecarbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide
PubChem CID53190998
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-[[5-(cyclohexanecarbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nc2c(n1C)CN(C(=O)C1CCCCC1)CC2
InChIInChI=1S/C17H26N4O2/c1-12(22)18-10-16-19-14-8-9-21(11-15(14)20(16)2)17(23)13-6-4-3-5-7-13/h13H,3-11H2,1-2H3,(H,18,22)
InChIKeyOHXCWGCKIXRTIP-UHFFFAOYSA-N
XLogP1.52
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(cyclohexanecarbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-(cyclohexanecarbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide (CID 53190998) is N-[[5-(cyclohexanecarbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-(cyclohexanecarbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-(cyclohexanecarbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide is CC(=O)NCc1nc2c(n1C)CN(C(=O)C1CCCCC1)CC2.
What is the InChIKey of N-[[5-(cyclohexanecarbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide?
The InChIKey is OHXCWGCKIXRTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12(22)18-10-16-19-14-8-9-21(11-15(14)20(16)2)17(23)13-6-4-3-5-7-13/h13H,3-11H2,1-2H3,(H,18,22).
What are the key properties of N-[[5-(cyclohexanecarbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide?
N-[[5-(cyclohexanecarbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cyclohexanecarbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide is sourced from PubChem (CID 53190998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).