1-[2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetyl]-N-(6-methyl-2-pyridinyl)azetidine-2-carboxamide

C27H26N6O3 — CID 126624065

IUPAC1-[2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetyl]-N-(6-methyl-2-pyridinyl)azetidine-2-carboxamide
SMILESCC(=O)c1cn(CC(=O)N2CCC2C(=O)Nc2cccc(C)n2)c2ccc(Nc3cccnc3)cc12
InChIInChI=1S/C27H26N6O3/c1-17-5-3-7-25(29-17)31-27(36)24-10-12-33(24)26(35)16-32-15-22(18(2)34)21-13-19(8-9-23(21)32)30-20-6-4-11-28-14-20/h3-9,11,13-15,24,30H,10,12,16H2,1-2H3,(H,29,31,36)
InChIKeyRLDVGQVXNMNGCP-UHFFFAOYSA-N
MW482.54 g/mol
LogP3.93
Rot. Bonds7

About 1-[2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetyl]-N-(6-methyl-2-pyridinyl)azetidine-2-carboxamide

1-[2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetyl]-N-(6-methyl-2-pyridinyl)azetidine-2-carboxamide (PubChem CID 126624065) has the molecular formula C27H26N6O3 and a molecular weight of 482.54 g/mol. Its IUPAC name is 1-[2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetyl]-N-(6-methyl-2-pyridinyl)azetidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetyl]-N-(6-methyl-2-pyridinyl)azetidine-2-carboxamide
PubChem CID126624065
Molecular FormulaC27H26N6O3
Molecular Weight482.54 g/mol
Exact Mass482.21
IUPAC Name1-[2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetyl]-N-(6-methyl-2-pyridinyl)azetidine-2-carboxamide
SMILESCC(=O)c1cn(CC(=O)N2CCC2C(=O)Nc2cccc(C)n2)c2ccc(Nc3cccnc3)cc12
InChIInChI=1S/C27H26N6O3/c1-17-5-3-7-25(29-17)31-27(36)24-10-12-33(24)26(35)16-32-15-22(18(2)34)21-13-19(8-9-23(21)32)30-20-6-4-11-28-14-20/h3-9,11,13-15,24,30H,10,12,16H2,1-2H3,(H,29,31,36)
InChIKeyRLDVGQVXNMNGCP-UHFFFAOYSA-N
XLogP3.93
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetyl]-N-(6-methyl-2-pyridinyl)azetidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-acetyl-1-[2-[2-[(6-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-2-oxoethyl]indol-5-yl]-3,3-difluoropiperidine-1-carboxamide
CID 126617566
2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetic acid
CID 130299911
1-[2-[(2S)-5-fluoro-2-[(6-methyl-2-pyridinyl)carbamoyl]azepan-1-yl]-2-oxoethyl]-5-(6-methyl-3-pyridinyl)indole-3-carboxamide
CID 126623979
CID 157418870
CID 157418870
(2S)-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]pyrrolidine-2-carboxamide
CID 118349065
(2S)-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidine-2-carboxamide
CID 130198997
(2S,4R)-1-[2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetyl]-4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 126623838
(2S,4R)-1-[2-(3-acetyl-5-pyridin-3-ylindol-1-yl)acetyl]-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
CID 161131415
5-(cyclohexen-1-yl)-1-[2-[(2S)-5-fluoro-2-[(6-methyl-2-pyridinyl)carbamoyl]azepan-1-yl]-2-oxoethyl]indole-3-carboxamide
CID 135221676
(2S,4R)-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-4-fluoro-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 118322546
(2S)-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-N-(1,3-benzothiazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 138631631
(2S,4R)-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-4-fluoro-N-(5-phenylmethoxy-2-pyridinyl)pyrrolidine-2-carboxamide
CID 118322648

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetyl]-N-(6-methyl-2-pyridinyl)azetidine-2-carboxamide?
The IUPAC name of 1-[2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetyl]-N-(6-methyl-2-pyridinyl)azetidine-2-carboxamide (CID 126624065) is 1-[2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetyl]-N-(6-methyl-2-pyridinyl)azetidine-2-carboxamide.
What is the SMILES notation for 1-[2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetyl]-N-(6-methyl-2-pyridinyl)azetidine-2-carboxamide?
The canonical SMILES for 1-[2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetyl]-N-(6-methyl-2-pyridinyl)azetidine-2-carboxamide is CC(=O)c1cn(CC(=O)N2CCC2C(=O)Nc2cccc(C)n2)c2ccc(Nc3cccnc3)cc12.
What is the InChIKey of 1-[2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetyl]-N-(6-methyl-2-pyridinyl)azetidine-2-carboxamide?
The InChIKey is RLDVGQVXNMNGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O3/c1-17-5-3-7-25(29-17)31-27(36)24-10-12-33(24)26(35)16-32-15-22(18(2)34)21-13-19(8-9-23(21)32)30-20-6-4-11-28-14-20/h3-9,11,13-15,24,30H,10,12,16H2,1-2H3,(H,29,31,36).
What are the key properties of 1-[2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetyl]-N-(6-methyl-2-pyridinyl)azetidine-2-carboxamide?
1-[2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetyl]-N-(6-methyl-2-pyridinyl)azetidine-2-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetyl]-N-(6-methyl-2-pyridinyl)azetidine-2-carboxamide is sourced from PubChem (CID 126624065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).