N,N-diethyl-2-[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]acetamide

C26H33N3O — CID 177244994

IUPACN,N-diethyl-2-[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]acetamide
SMILESCCN(CC)C(=O)Cc1cn(CC2CCC(c3ccccc3)CC2)c2cccnc12
InChIInChI=1S/C26H33N3O/c1-3-28(4-2)25(30)17-23-19-29(24-11-8-16-27-26(23)24)18-20-12-14-22(15-13-20)21-9-6-5-7-10-21/h5-11,16,19-20,22H,3-4,12-15,17-18H2,1-2H3
InChIKeyAZOWOHBGRZJOCE-UHFFFAOYSA-N
MW403.57 g/mol
LogP5.42
Rot. Bonds7

About N,N-diethyl-2-[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]acetamide

N,N-diethyl-2-[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]acetamide (PubChem CID 177244994) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is N,N-diethyl-2-[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]acetamide
PubChem CID177244994
Molecular FormulaC26H33N3O
Molecular Weight403.57 g/mol
Exact Mass403.26
IUPAC NameN,N-diethyl-2-[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]acetamide
SMILESCCN(CC)C(=O)Cc1cn(CC2CCC(c3ccccc3)CC2)c2cccnc12
InChIInChI=1S/C26H33N3O/c1-3-28(4-2)25(30)17-23-19-29(24-11-8-16-27-26(23)24)18-20-12-14-22(15-13-20)21-9-6-5-7-10-21/h5-11,16,19-20,22H,3-4,12-15,17-18H2,1-2H3
InChIKeyAZOWOHBGRZJOCE-UHFFFAOYSA-N
XLogP5.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-2-[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]acetamide 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

[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-piperidin-1-ylmethanone
CID 177244912
[1-[[4-[4-(methoxymethyl)phenyl]cyclohexyl]methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
CID 177244937
N-(2-methoxyethyl)-N-methyl-4-[4-[[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]cyclohexyl]benzamide
CID 177244839
[1-[(4-cyclohexylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
CID 177244844
3-[1-(cyclopropylmethyl)indol-3-yl]propanoic acid
CID 63937608
1-[(4-phenylcyclohexyl)methyl]azetidine-3-carboxylic acid
CID 122046802
2-(2-cyclopropyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetic acid
CID 84693471
ethyl 4-phenylcyclohexane-1-carboxylate
CID 15047124
1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one
CID 115107167
4-(benzimidazol-1-ylmethyl)cyclohexane-1-carboxylic acid
CID 172582070
1-(4-phenylcyclohexyl)propan-1-one
CID 13042788
2-[cyclopropyl-[2-(1-ethylindol-3-yl)acetyl]amino]acetic acid
CID 119195131

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]acetamide (CID 177244994) is N,N-diethyl-2-[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]acetamide is CCN(CC)C(=O)Cc1cn(CC2CCC(c3ccccc3)CC2)c2cccnc12.
What is the InChIKey of N,N-diethyl-2-[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]acetamide?
The InChIKey is AZOWOHBGRZJOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O/c1-3-28(4-2)25(30)17-23-19-29(24-11-8-16-27-26(23)24)18-20-12-14-22(15-13-20)21-9-6-5-7-10-21/h5-11,16,19-20,22H,3-4,12-15,17-18H2,1-2H3.
What are the key properties of N,N-diethyl-2-[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]acetamide?
N,N-diethyl-2-[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]acetamide has a molecular weight of 403.57 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 177244994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).