N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C12H16N6O2 — CID 106415942

IUPACN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCc1nc(CCNC(=O)C2Cc3nc[nH]c3CN2)no1
InChIInChI=1S/C12H16N6O2/c1-7-17-11(18-20-7)2-3-13-12(19)9-4-8-10(5-14-9)16-6-15-8/h6,9,14H,2-5H2,1H3,(H,13,19)(H,15,16)
InChIKeyZVINRNFHMGWODB-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.53
Rot. Bonds4

About N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 106415942) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID106415942
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCc1nc(CCNC(=O)C2Cc3nc[nH]c3CN2)no1
InChIInChI=1S/C12H16N6O2/c1-7-17-11(18-20-7)2-3-13-12(19)9-4-8-10(5-14-9)16-6-15-8/h6,9,14H,2-5H2,1H3,(H,13,19)(H,15,16)
InChIKeyZVINRNFHMGWODB-UHFFFAOYSA-N
XLogP-0.53
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-(2-methoxyethoxy)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79353705
N-[3-oxo-3-(propylamino)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79354263
2-hydroxy-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid
CID 107836219
N-[2-(2-methylprop-2-enoxy)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 114467962
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79362602
N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79352586
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79352452
N-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 74443132
2-[(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)methyl]butanoic acid
CID 79353924
N-[(2-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79353848
N-[(3-methylcyclopentyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 107413210

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 106415942) is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is Cc1nc(CCNC(=O)C2Cc3nc[nH]c3CN2)no1.
What is the InChIKey of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is ZVINRNFHMGWODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-7-17-11(18-20-7)2-3-13-12(19)9-4-8-10(5-14-9)16-6-15-8/h6,9,14H,2-5H2,1H3,(H,13,19)(H,15,16).
What are the key properties of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 276.30 g/mol, XLogP of -0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 106415942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).