N-[(3-methoxyoxolan-3-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C13H20N4O3 — CID 104761491

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCOC1(CNC(=O)C2Cc3nc[nH]c3CN2)CCOC1
InChIInChI=1S/C13H20N4O3/c1-19-13(2-3-20-7-13)6-15-12(18)10-4-9-11(5-14-10)17-8-16-9/h8,10,14H,2-7H2,1H3,(H,15,18)(H,16,17)
InChIKeyYHVCRVPAXHDMTO-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.65
Rot. Bonds4

About N-[(3-methoxyoxolan-3-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-[(3-methoxyoxolan-3-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 104761491) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID104761491
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCOC1(CNC(=O)C2Cc3nc[nH]c3CN2)CCOC1
InChIInChI=1S/C13H20N4O3/c1-19-13(2-3-20-7-13)6-15-12(18)10-4-9-11(5-14-10)17-8-16-9/h8,10,14H,2-7H2,1H3,(H,15,18)(H,16,17)
InChIKeyYHVCRVPAXHDMTO-UHFFFAOYSA-N
XLogP-0.65
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 81130290
N-[(1-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79353787
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79362602
N-[2-(2-methoxyethoxy)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79353705
N-[(3-methoxyoxolan-3-yl)methyl]morpholine-3-carboxamide
CID 113450266
N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 106254160
N-[2-(2-hydroxyethyl)pentyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 106116635
N-[2-[methyl(propan-2-yl)amino]ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79353844
N-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79351696
N-[2-(2-methylprop-2-enoxy)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 114467962
N-(4,4-dimethylcyclohexyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79353852
N-[3-oxo-3-(propylamino)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79354263

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 104761491) is N-[(3-methoxyoxolan-3-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is COC1(CNC(=O)C2Cc3nc[nH]c3CN2)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is YHVCRVPAXHDMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-19-13(2-3-20-7-13)6-15-12(18)10-4-9-11(5-14-10)17-8-16-9/h8,10,14H,2-7H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-[(3-methoxyoxolan-3-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 280.33 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 104761491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).