N-[3-[(6-acetamido-3-pyridinyl)carbamoyl]-4-methylphenyl]-1,3,3-trimethyl-2-oxoindole-5-carboxamide

C27H27N5O4 — CID 68844106

IUPACN-[3-[(6-acetamido-3-pyridinyl)carbamoyl]-4-methylphenyl]-1,3,3-trimethyl-2-oxoindole-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(NC(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)ccc2C)cn1
InChIInChI=1S/C27H27N5O4/c1-15-6-8-18(13-20(15)25(35)31-19-9-11-23(28-14-19)29-16(2)33)30-24(34)17-7-10-22-21(12-17)27(3,4)26(36)32(22)5/h6-14H,1-5H3,(H,30,34)(H,31,35)(H,28,29,33)
InChIKeyCWYQIGBXHQHECV-UHFFFAOYSA-N
MW485.54 g/mol
LogP4.11
Rot. Bonds5

About N-[3-[(6-acetamido-3-pyridinyl)carbamoyl]-4-methylphenyl]-1,3,3-trimethyl-2-oxoindole-5-carboxamide

N-[3-[(6-acetamido-3-pyridinyl)carbamoyl]-4-methylphenyl]-1,3,3-trimethyl-2-oxoindole-5-carboxamide (PubChem CID 68844106) has the molecular formula C27H27N5O4 and a molecular weight of 485.54 g/mol. Its IUPAC name is N-[3-[(6-acetamido-3-pyridinyl)carbamoyl]-4-methylphenyl]-1,3,3-trimethyl-2-oxoindole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(6-acetamido-3-pyridinyl)carbamoyl]-4-methylphenyl]-1,3,3-trimethyl-2-oxoindole-5-carboxamide
PubChem CID68844106
Molecular FormulaC27H27N5O4
Molecular Weight485.54 g/mol
Exact Mass485.21
IUPAC NameN-[3-[(6-acetamido-3-pyridinyl)carbamoyl]-4-methylphenyl]-1,3,3-trimethyl-2-oxoindole-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(NC(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)ccc2C)cn1
InChIInChI=1S/C27H27N5O4/c1-15-6-8-18(13-20(15)25(35)31-19-9-11-23(28-14-19)29-16(2)33)30-24(34)17-7-10-22-21(12-17)27(3,4)26(36)32(22)5/h6-14H,1-5H3,(H,30,34)(H,31,35)(H,28,29,33)
InChIKeyCWYQIGBXHQHECV-UHFFFAOYSA-N
XLogP4.11
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[(6-acetamido-3-pyridinyl)carbamoyl]-4-methylphenyl]-1,3,3-trimethyl-2-oxoindole-5-carboxamide with MolForge

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Related Compounds

N-(3-methoxyphenyl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide
CID 110764410
N-(6-acetamido-3-pyridinyl)-5-[[3-(3,4-dihydroxy-2-methylbutan-2-yl)benzoyl]amino]-2-methylbenzamide
CID 68878635
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide
CID 110764430
N-(3-hydroxypropyl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide
CID 98020122
3,4-dimethyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzamide
CID 113027886
N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide
CID 113009468
N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113017060
5-[(4-chloro-3-methylbenzoyl)amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide
CID 118725678
N-[6-(4-acetylanilino)-3-pyridinyl]-2-methylbenzamide
CID 113020395
N-(5-fluoro-1,3,3-trimethyl-2-oxoindol-6-yl)pyridine-4-carboxamide
CID 73425720
N-(6-amino-3-pyridinyl)-3,4-dimethylbenzamide
CID 62899740
3,4-dimethyl-N-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021007

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-acetamido-3-pyridinyl)carbamoyl]-4-methylphenyl]-1,3,3-trimethyl-2-oxoindole-5-carboxamide?
The IUPAC name of N-[3-[(6-acetamido-3-pyridinyl)carbamoyl]-4-methylphenyl]-1,3,3-trimethyl-2-oxoindole-5-carboxamide (CID 68844106) is N-[3-[(6-acetamido-3-pyridinyl)carbamoyl]-4-methylphenyl]-1,3,3-trimethyl-2-oxoindole-5-carboxamide.
What is the SMILES notation for N-[3-[(6-acetamido-3-pyridinyl)carbamoyl]-4-methylphenyl]-1,3,3-trimethyl-2-oxoindole-5-carboxamide?
The canonical SMILES for N-[3-[(6-acetamido-3-pyridinyl)carbamoyl]-4-methylphenyl]-1,3,3-trimethyl-2-oxoindole-5-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cc(NC(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)ccc2C)cn1.
What is the InChIKey of N-[3-[(6-acetamido-3-pyridinyl)carbamoyl]-4-methylphenyl]-1,3,3-trimethyl-2-oxoindole-5-carboxamide?
The InChIKey is CWYQIGBXHQHECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O4/c1-15-6-8-18(13-20(15)25(35)31-19-9-11-23(28-14-19)29-16(2)33)30-24(34)17-7-10-22-21(12-17)27(3,4)26(36)32(22)5/h6-14H,1-5H3,(H,30,34)(H,31,35)(H,28,29,33).
What are the key properties of N-[3-[(6-acetamido-3-pyridinyl)carbamoyl]-4-methylphenyl]-1,3,3-trimethyl-2-oxoindole-5-carboxamide?
N-[3-[(6-acetamido-3-pyridinyl)carbamoyl]-4-methylphenyl]-1,3,3-trimethyl-2-oxoindole-5-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 4.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-acetamido-3-pyridinyl)carbamoyl]-4-methylphenyl]-1,3,3-trimethyl-2-oxoindole-5-carboxamide is sourced from PubChem (CID 68844106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).