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

C29H32N6O3 — CID 134563132

IUPACN-[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
SMILESCC(=O)Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CC(C)(C(=O)N2C[C@H]4C[C@@H]2CN4C)C3)ccn1
InChIInChI=1S/C29H32N6O3/c1-17(36)31-24-11-18(9-10-30-24)26-27(32-19-7-5-4-6-8-19)25-22(33-26)13-29(2,14-23(25)37)28(38)35-16-20-12-21(35)15-34(20)3/h4-11,20-21,32-33H,12-16H2,1-3H3,(H,30,31,36)/t20-,21-,29?/m1/s1
InChIKeyZUTWKELXGKEUHS-LYJBJCQPSA-N
MW512.61 g/mol
LogP3.83
Rot. Bonds5

About 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

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 (PubChem CID 134563132) has the molecular formula C29H32N6O3 and a molecular weight of 512.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID134563132
Molecular FormulaC29H32N6O3
Molecular Weight512.61 g/mol
Exact Mass512.25
IUPAC NameN-[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
SMILESCC(=O)Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CC(C)(C(=O)N2C[C@H]4C[C@@H]2CN4C)C3)ccn1
InChIInChI=1S/C29H32N6O3/c1-17(36)31-24-11-18(9-10-30-24)26-27(32-19-7-5-4-6-8-19)25-22(33-26)13-29(2,14-23(25)37)28(38)35-16-20-12-21(35)15-34(20)3/h4-11,20-21,32-33H,12-16H2,1-3H3,(H,30,31,36)/t20-,21-,29?/m1/s1
InChIKeyZUTWKELXGKEUHS-LYJBJCQPSA-N
XLogP3.83
TPSA110.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 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
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
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
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-(hydroxymethyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide;ethane;formaldehyde
CID 145208929
N-[4-[3-anilino-6-(4-hydroxybutyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide
CID 146516114
(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
2-(2-acetamido-4-pyridinyl)-3-anilino-N-methyl-4-oxo-N-propyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxamide
CID 129246434
N-[4-[6-[(Z)-3-amino-2-sulfanylprop-2-enoyl]-3-anilino-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]acetamide
CID 129272989
2-fluoroethyl 2-(2-acetamido-4-pyridinyl)-3-anilino-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate
CID 129246461
cis-(1R,2R)-N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
CID 118607079
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CC(C)(C(=O)N2C[C@H]4C[C@@H]2CN4C)C3)ccn1.
What is the InChIKey of 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?
The InChIKey is ZUTWKELXGKEUHS-LYJBJCQPSA-N. The full InChI is InChI=1S/C29H32N6O3/c1-17(36)31-24-11-18(9-10-30-24)26-27(32-19-7-5-4-6-8-19)25-22(33-26)13-29(2,14-23(25)37)28(38)35-16-20-12-21(35)15-34(20)3/h4-11,20-21,32-33H,12-16H2,1-3H3,(H,30,31,36)/t20-,21-,29?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 512.61 g/mol, XLogP of 3.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134563132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).