N-(5-acetamido-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide

C24H24N4O2 — CID 168957855

IUPACN-(5-acetamido-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide
SMILESCC(=O)Nc1cncc(NC(=O)CNC2c3ccccc3CCc3ccccc32)c1
InChIInChI=1S/C24H24N4O2/c1-16(29)27-19-12-20(14-25-13-19)28-23(30)15-26-24-21-8-4-2-6-17(21)10-11-18-7-3-5-9-22(18)24/h2-9,12-14,24,26H,10-11,15H2,1H3,(H,27,29)(H,28,30)
InChIKeyLXUNNNBIVMSTAN-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.46
Rot. Bonds5

About N-(5-acetamido-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide

N-(5-acetamido-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide (PubChem CID 168957855) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(5-acetamido-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide.

Molecular Properties

Compound NameN-(5-acetamido-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide
PubChem CID168957855
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-(5-acetamido-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide
SMILESCC(=O)Nc1cncc(NC(=O)CNC2c3ccccc3CCc3ccccc32)c1
InChIInChI=1S/C24H24N4O2/c1-16(29)27-19-12-20(14-25-13-19)28-23(30)15-26-24-21-8-4-2-6-17(21)10-11-18-7-3-5-9-22(18)24/h2-9,12-14,24,26H,10-11,15H2,1H3,(H,27,29)(H,28,30)
InChIKeyLXUNNNBIVMSTAN-UHFFFAOYSA-N
XLogP3.46
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(5-acetamido-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide with MolForge

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Related Compounds

N-(5-amino-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide
CID 168957928
2-(2,3-dihydro-1H-inden-1-ylamino)-N-(3-methylphenyl)acetamide
CID 43411225
dimethyl 5-[[2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetyl]amino]benzene-1,3-dicarboxylate
CID 3882933
N-(4-acetamidophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9261093
5-[[2-(cyclopentylamino)acetyl]amino]pyridine-3-carboxylic acid
CID 63154190
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[2-(4-bromoanilino)-2-oxoethyl]acetamide
CID 55878621
7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)heptanoic acid;hydrochloride
CID 44558536
N-(5-amino-3-pyridinyl)acetamide
CID 69179532
4-acetamido-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7688434
2-[(4-acetamidophenyl)sulfonylamino]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 25492643
[2-(4-tert-butylanilino)-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 7937431
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 8780128

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide?
The IUPAC name of N-(5-acetamido-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide (CID 168957855) is N-(5-acetamido-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide.
What is the SMILES notation for N-(5-acetamido-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide?
The canonical SMILES for N-(5-acetamido-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide is CC(=O)Nc1cncc(NC(=O)CNC2c3ccccc3CCc3ccccc32)c1.
What is the InChIKey of N-(5-acetamido-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide?
The InChIKey is LXUNNNBIVMSTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-16(29)27-19-12-20(14-25-13-19)28-23(30)15-26-24-21-8-4-2-6-17(21)10-11-18-7-3-5-9-22(18)24/h2-9,12-14,24,26H,10-11,15H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-(5-acetamido-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide?
N-(5-acetamido-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide has a molecular weight of 400.48 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide is sourced from PubChem (CID 168957855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).