3-(1-adamantylcarbamoylamino)-N-[6-(benzimidazol-1-yl)-3-pyridinyl]propanamide

C26H30N6O2 — CID 55581086

IUPAC3-(1-adamantylcarbamoylamino)-N-[6-(benzimidazol-1-yl)-3-pyridinyl]propanamide
SMILESO=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)Nc1ccc(-n2cnc3ccccc32)nc1
InChIInChI=1S/C26H30N6O2/c33-24(7-8-27-25(34)31-26-12-17-9-18(13-26)11-19(10-17)14-26)30-20-5-6-23(28-15-20)32-16-29-21-3-1-2-4-22(21)32/h1-6,15-19H,7-14H2,(H,30,33)(H2,27,31,34)
InChIKeyDBLNMGRBWXHHPE-UHFFFAOYSA-N
MW458.57 g/mol
LogP4.02
Rot. Bonds6

About 3-(1-adamantylcarbamoylamino)-N-[6-(benzimidazol-1-yl)-3-pyridinyl]propanamide

3-(1-adamantylcarbamoylamino)-N-[6-(benzimidazol-1-yl)-3-pyridinyl]propanamide (PubChem CID 55581086) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 3-(1-adamantylcarbamoylamino)-N-[6-(benzimidazol-1-yl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-(1-adamantylcarbamoylamino)-N-[6-(benzimidazol-1-yl)-3-pyridinyl]propanamide
PubChem CID55581086
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name3-(1-adamantylcarbamoylamino)-N-[6-(benzimidazol-1-yl)-3-pyridinyl]propanamide
SMILESO=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)Nc1ccc(-n2cnc3ccccc32)nc1
InChIInChI=1S/C26H30N6O2/c33-24(7-8-27-25(34)31-26-12-17-9-18(13-26)11-19(10-17)14-26)30-20-5-6-23(28-15-20)32-16-29-21-3-1-2-4-22(21)32/h1-6,15-19H,7-14H2,(H,30,33)(H2,27,31,34)
InChIKeyDBLNMGRBWXHHPE-UHFFFAOYSA-N
XLogP4.02
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-adamantylcarbamoylamino)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009311
N-[6-(benzimidazol-1-yl)-3-pyridinyl]pentanamide
CID 134004728
3-(1-adamantylcarbamoylamino)-N-(4-fluorophenyl)propanamide
CID 26915513
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(4-bromophenyl)-4-oxobutanamide
CID 56532152
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 51935910
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 134004771
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 55965551
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
CID 55632014
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 134004829
2-(4-acetylphenoxy)-N-[6-(benzimidazol-1-yl)-3-pyridinyl]acetamide
CID 134004763
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 134004736
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 134004746

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylcarbamoylamino)-N-[6-(benzimidazol-1-yl)-3-pyridinyl]propanamide?
The IUPAC name of 3-(1-adamantylcarbamoylamino)-N-[6-(benzimidazol-1-yl)-3-pyridinyl]propanamide (CID 55581086) is 3-(1-adamantylcarbamoylamino)-N-[6-(benzimidazol-1-yl)-3-pyridinyl]propanamide.
What is the SMILES notation for 3-(1-adamantylcarbamoylamino)-N-[6-(benzimidazol-1-yl)-3-pyridinyl]propanamide?
The canonical SMILES for 3-(1-adamantylcarbamoylamino)-N-[6-(benzimidazol-1-yl)-3-pyridinyl]propanamide is O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)Nc1ccc(-n2cnc3ccccc32)nc1.
What is the InChIKey of 3-(1-adamantylcarbamoylamino)-N-[6-(benzimidazol-1-yl)-3-pyridinyl]propanamide?
The InChIKey is DBLNMGRBWXHHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c33-24(7-8-27-25(34)31-26-12-17-9-18(13-26)11-19(10-17)14-26)30-20-5-6-23(28-15-20)32-16-29-21-3-1-2-4-22(21)32/h1-6,15-19H,7-14H2,(H,30,33)(H2,27,31,34).
What are the key properties of 3-(1-adamantylcarbamoylamino)-N-[6-(benzimidazol-1-yl)-3-pyridinyl]propanamide?
3-(1-adamantylcarbamoylamino)-N-[6-(benzimidazol-1-yl)-3-pyridinyl]propanamide has a molecular weight of 458.57 g/mol, XLogP of 4.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylcarbamoylamino)-N-[6-(benzimidazol-1-yl)-3-pyridinyl]propanamide is sourced from PubChem (CID 55581086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).