N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C13H22N4O3 — CID 79354601

IUPACN,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCOCCN(CCOC)C(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H22N4O3/c1-19-5-3-17(4-6-20-2)13(18)11-7-10-12(8-14-11)16-9-15-10/h9,11,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyKRKKPHHTQNUDJE-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.45
Rot. Bonds7

About N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79354601) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID79354601
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC NameN,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCOCCN(CCOC)C(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H22N4O3/c1-19-5-3-17(4-6-20-2)13(18)11-7-10-12(8-14-11)16-9-15-10/h9,11,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyKRKKPHHTQNUDJE-UHFFFAOYSA-N
XLogP-0.45
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79354601) is N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is COCCN(CCOC)C(=O)C1Cc2nc[nH]c2CN1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is KRKKPHHTQNUDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-19-5-3-17(4-6-20-2)13(18)11-7-10-12(8-14-11)16-9-15-10/h9,11,14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 282.34 g/mol, XLogP of -0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79354601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).