N,N,1-trimethyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide

C17H28N4O3 — CID 118745009

IUPACN,N,1-trimethyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
SMILESCN(C)C(=O)N1Cc2ncn(C)c2C(COCC2CCOCC2)C1
InChIInChI=1S/C17H28N4O3/c1-19(2)17(22)21-8-14(16-15(9-21)18-12-20(16)3)11-24-10-13-4-6-23-7-5-13/h12-14H,4-11H2,1-3H3
InChIKeyDUOVXHLJKSKMJU-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.44
Rot. Bonds4

About N,N,1-trimethyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide

N,N,1-trimethyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide (PubChem CID 118745009) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N,N,1-trimethyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN,N,1-trimethyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
PubChem CID118745009
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN,N,1-trimethyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
SMILESCN(C)C(=O)N1Cc2ncn(C)c2C(COCC2CCOCC2)C1
InChIInChI=1S/C17H28N4O3/c1-19(2)17(22)21-8-14(16-15(9-21)18-12-20(16)3)11-24-10-13-4-6-23-7-5-13/h12-14H,4-11H2,1-3H3
InChIKeyDUOVXHLJKSKMJU-UHFFFAOYSA-N
XLogP1.44
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of N,N,1-trimethyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide (CID 118745009) is N,N,1-trimethyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for N,N,1-trimethyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for N,N,1-trimethyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide is CN(C)C(=O)N1Cc2ncn(C)c2C(COCC2CCOCC2)C1.
What is the InChIKey of N,N,1-trimethyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide?
The InChIKey is DUOVXHLJKSKMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-19(2)17(22)21-8-14(16-15(9-21)18-12-20(16)3)11-24-10-13-4-6-23-7-5-13/h12-14H,4-11H2,1-3H3.
What are the key properties of N,N,1-trimethyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide?
N,N,1-trimethyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 118745009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).