N-[4-[(5S,5aS)-3-anilino-5,5a-dimethyl-4-oxo-1,4a,5,6-tetrahydrocyclopropa[f]indol-2-yl]-2-pyridinyl]acetamide

C24H24N4O2 — CID 135303014

IUPACN-[4-[(5S,5aS)-3-anilino-5,5a-dimethyl-4-oxo-1,4a,5,6-tetrahydrocyclopropa[f]indol-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)C2[C@H](C)[C@]2(C)C3)ccn1
InChIInChI=1S/C24H24N4O2/c1-13-20-23(30)19-17(12-24(13,20)3)28-21(22(19)27-16-7-5-4-6-8-16)15-9-10-25-18(11-15)26-14(2)29/h4-11,13,20,27-28H,12H2,1-3H3,(H,25,26,29)/t13-,20?,24-/m0/s1
InChIKeyVNKAHOXZMROZDQ-GMGOFXSSSA-N
MW400.48 g/mol
LogP4.79
Rot. Bonds4

About N-[4-[(5S,5aS)-3-anilino-5,5a-dimethyl-4-oxo-1,4a,5,6-tetrahydrocyclopropa[f]indol-2-yl]-2-pyridinyl]acetamide

N-[4-[(5S,5aS)-3-anilino-5,5a-dimethyl-4-oxo-1,4a,5,6-tetrahydrocyclopropa[f]indol-2-yl]-2-pyridinyl]acetamide (PubChem CID 135303014) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[4-[(5S,5aS)-3-anilino-5,5a-dimethyl-4-oxo-1,4a,5,6-tetrahydrocyclopropa[f]indol-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5S,5aS)-3-anilino-5,5a-dimethyl-4-oxo-1,4a,5,6-tetrahydrocyclopropa[f]indol-2-yl]-2-pyridinyl]acetamide
PubChem CID135303014
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[4-[(5S,5aS)-3-anilino-5,5a-dimethyl-4-oxo-1,4a,5,6-tetrahydrocyclopropa[f]indol-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)C2[C@H](C)[C@]2(C)C3)ccn1
InChIInChI=1S/C24H24N4O2/c1-13-20-23(30)19-17(12-24(13,20)3)28-21(22(19)27-16-7-5-4-6-8-16)15-9-10-25-18(11-15)26-14(2)29/h4-11,13,20,27-28H,12H2,1-3H3,(H,25,26,29)/t13-,20?,24-/m0/s1
InChIKeyVNKAHOXZMROZDQ-GMGOFXSSSA-N
XLogP4.79
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[(5S,5aS)-3-anilino-5,5a-dimethyl-4-oxo-1,4a,5,6-tetrahydrocyclopropa[f]indol-2-yl]-2-pyridinyl]acetamide with MolForge

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Related Compounds

N-[4-[(4aR,5aR)-3-anilino-5a-methyl-4-oxo-1,4a,5,6-tetrahydrocyclopropa[f]indol-2-yl]-2-pyridinyl]acetamide
CID 126520358
N-[4-[3-anilino-6-(hydroxymethyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide;ethane;formaldehyde
CID 145208929
N-[4-[3-anilino-6-methyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-4-oxo-5,7-dihydro-1H-indol-2-yl]-2-pyridinyl]acetamide
CID 134563132
cis-(1S,2S)-N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
CID 118613218
N-[4-[3-anilino-6-(2,2-dimethylpropanoyl)-4-imino-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]acetamide
CID 137240942
N-[4-[3-anilino-6-(4-hydroxybutyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide
CID 146516114
N-[4-[(4aR,5aR)-3-anilino-5a-methyl-4-oxo-1,4a,5,6-tetrahydrocyclopropa[f]indol-2-yl]-2-pyridinyl]methanesulfonamide
CID 126520029
N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 154674495
3-anilino-2-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-N,N,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-6-carboxamide
CID 134563139
(1S)-N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide
CID 129246764
N-[4-(3-anilino-6-methyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-fluoro-2-methylpropanamide
CID 134582075
N-[4-[(4aR,5aS)-3-anilino-4-oxo-5a-(triiodomethyl)-1,4a,5,6-tetrahydrocyclopropa[f]indol-2-yl]-2-pyridinyl]-4-fluoro-2-methylbenzamide
CID 126560170

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5S,5aS)-3-anilino-5,5a-dimethyl-4-oxo-1,4a,5,6-tetrahydrocyclopropa[f]indol-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[(5S,5aS)-3-anilino-5,5a-dimethyl-4-oxo-1,4a,5,6-tetrahydrocyclopropa[f]indol-2-yl]-2-pyridinyl]acetamide (CID 135303014) is N-[4-[(5S,5aS)-3-anilino-5,5a-dimethyl-4-oxo-1,4a,5,6-tetrahydrocyclopropa[f]indol-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[(5S,5aS)-3-anilino-5,5a-dimethyl-4-oxo-1,4a,5,6-tetrahydrocyclopropa[f]indol-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[(5S,5aS)-3-anilino-5,5a-dimethyl-4-oxo-1,4a,5,6-tetrahydrocyclopropa[f]indol-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)C2[C@H](C)[C@]2(C)C3)ccn1.
What is the InChIKey of N-[4-[(5S,5aS)-3-anilino-5,5a-dimethyl-4-oxo-1,4a,5,6-tetrahydrocyclopropa[f]indol-2-yl]-2-pyridinyl]acetamide?
The InChIKey is VNKAHOXZMROZDQ-GMGOFXSSSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-13-20-23(30)19-17(12-24(13,20)3)28-21(22(19)27-16-7-5-4-6-8-16)15-9-10-25-18(11-15)26-14(2)29/h4-11,13,20,27-28H,12H2,1-3H3,(H,25,26,29)/t13-,20?,24-/m0/s1.
What are the key properties of N-[4-[(5S,5aS)-3-anilino-5,5a-dimethyl-4-oxo-1,4a,5,6-tetrahydrocyclopropa[f]indol-2-yl]-2-pyridinyl]acetamide?
N-[4-[(5S,5aS)-3-anilino-5,5a-dimethyl-4-oxo-1,4a,5,6-tetrahydrocyclopropa[f]indol-2-yl]-2-pyridinyl]acetamide has a molecular weight of 400.48 g/mol, XLogP of 4.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5S,5aS)-3-anilino-5,5a-dimethyl-4-oxo-1,4a,5,6-tetrahydrocyclopropa[f]indol-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 135303014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).