1-adamantyl-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone

C20H29N3O — CID 110872795

IUPAC1-adamantyl-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
SMILESCC(C)n1cnc2c1CN(C(=O)C13CC4CC(CC(C4)C1)C3)CC2
InChIInChI=1S/C20H29N3O/c1-13(2)23-12-21-17-3-4-22(11-18(17)23)19(24)20-8-14-5-15(9-20)7-16(6-14)10-20/h12-16H,3-11H2,1-2H3
InChIKeyYNKNNKUSZGGAMW-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.57
Rot. Bonds2

About 1-adamantyl-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone

1-adamantyl-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 110872795) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 1-adamantyl-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name1-adamantyl-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID110872795
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name1-adamantyl-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
SMILESCC(C)n1cnc2c1CN(C(=O)C13CC4CC(CC(C4)C1)C3)CC2
InChIInChI=1S/C20H29N3O/c1-13(2)23-12-21-17-3-4-22(11-18(17)23)19(24)20-8-14-5-15(9-20)7-16(6-14)10-20/h12-16H,3-11H2,1-2H3
InChIKeyYNKNNKUSZGGAMW-UHFFFAOYSA-N
XLogP3.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-adamantyl-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone with MolForge

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Related Compounds

cyclopropyl-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110872742
1-adamantyl-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)methanone
CID 90628173
(2-bromophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110872759
(2-chloro-6-fluorophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110867100
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-chloropropan-1-one
CID 108570247
1-adamantyl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 110722452
1-adamantyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 26063053
1-adamantyl(1,3-dihydroisoindol-2-yl)methanone
CID 71559523
methyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate
CID 110365670
1-adamantyl-[4-(1-chloroethyl)piperidin-1-yl]methanone
CID 106838853
1-adamantyl-[4-(1-aminoethyl)piperidin-1-yl]methanone
CID 63594641
1-adamantyl-(4-propan-2-yloxypiperidin-1-yl)methanone
CID 110725415

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of 1-adamantyl-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone (CID 110872795) is 1-adamantyl-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for 1-adamantyl-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for 1-adamantyl-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone is CC(C)n1cnc2c1CN(C(=O)C13CC4CC(CC(C4)C1)C3)CC2.
What is the InChIKey of 1-adamantyl-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is YNKNNKUSZGGAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-13(2)23-12-21-17-3-4-22(11-18(17)23)19(24)20-8-14-5-15(9-20)7-16(6-14)10-20/h12-16H,3-11H2,1-2H3.
What are the key properties of 1-adamantyl-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
1-adamantyl-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 327.47 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 110872795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).