3-ethyl-6-[(2-methoxyacetyl)amino]-2-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzimidazole-4-carboxamide

C28H29N5O3 — CID 45250475

IUPAC3-ethyl-6-[(2-methoxyacetyl)amino]-2-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzimidazole-4-carboxamide
SMILESCCn1c(-c2cccnc2)nc2cc(NC(=O)COC)cc(C(=O)NC3CCCc4ccccc43)c21
InChIInChI=1S/C28H29N5O3/c1-3-33-26-22(28(35)32-23-12-6-9-18-8-4-5-11-21(18)23)14-20(30-25(34)17-36-2)15-24(26)31-27(33)19-10-7-13-29-16-19/h4-5,7-8,10-11,13-16,23H,3,6,9,12,17H2,1-2H3,(H,30,34)(H,32,35)
InChIKeyRXDRTMUYAVBXLS-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.51
Rot. Bonds7

About 3-ethyl-6-[(2-methoxyacetyl)amino]-2-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzimidazole-4-carboxamide

3-ethyl-6-[(2-methoxyacetyl)amino]-2-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzimidazole-4-carboxamide (PubChem CID 45250475) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 3-ethyl-6-[(2-methoxyacetyl)amino]-2-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzimidazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-6-[(2-methoxyacetyl)amino]-2-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzimidazole-4-carboxamide
PubChem CID45250475
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name3-ethyl-6-[(2-methoxyacetyl)amino]-2-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzimidazole-4-carboxamide
SMILESCCn1c(-c2cccnc2)nc2cc(NC(=O)COC)cc(C(=O)NC3CCCc4ccccc43)c21
InChIInChI=1S/C28H29N5O3/c1-3-33-26-22(28(35)32-23-12-6-9-18-8-4-5-11-21(18)23)14-20(30-25(34)17-36-2)15-24(26)31-27(33)19-10-7-13-29-16-19/h4-5,7-8,10-11,13-16,23H,3,6,9,12,17H2,1-2H3,(H,30,34)(H,32,35)
InChIKeyRXDRTMUYAVBXLS-UHFFFAOYSA-N
XLogP4.51
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-6-[(2-methoxyacetyl)amino]-2-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzimidazole-4-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

1-phenyl-3-pyridin-3-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
CID 8001480
2-(1-ethylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
CID 19583652
1-ethyl-3-methyl-6-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51852866
2-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
CID 5045175
(2S)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 41024092
2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9244816
2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9244827
3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 131898012
3-(1-propan-2-yltetrazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 75768255
dimethyl 5-[[2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetyl]amino]benzene-1,3-dicarboxylate
CID 3882933
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
6-cyclopropyl-1-propan-2-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 9466126

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-[(2-methoxyacetyl)amino]-2-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzimidazole-4-carboxamide?
The IUPAC name of 3-ethyl-6-[(2-methoxyacetyl)amino]-2-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzimidazole-4-carboxamide (CID 45250475) is 3-ethyl-6-[(2-methoxyacetyl)amino]-2-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzimidazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-6-[(2-methoxyacetyl)amino]-2-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzimidazole-4-carboxamide?
The canonical SMILES for 3-ethyl-6-[(2-methoxyacetyl)amino]-2-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzimidazole-4-carboxamide is CCn1c(-c2cccnc2)nc2cc(NC(=O)COC)cc(C(=O)NC3CCCc4ccccc43)c21.
What is the InChIKey of 3-ethyl-6-[(2-methoxyacetyl)amino]-2-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzimidazole-4-carboxamide?
The InChIKey is RXDRTMUYAVBXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-3-33-26-22(28(35)32-23-12-6-9-18-8-4-5-11-21(18)23)14-20(30-25(34)17-36-2)15-24(26)31-27(33)19-10-7-13-29-16-19/h4-5,7-8,10-11,13-16,23H,3,6,9,12,17H2,1-2H3,(H,30,34)(H,32,35).
What are the key properties of 3-ethyl-6-[(2-methoxyacetyl)amino]-2-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzimidazole-4-carboxamide?
3-ethyl-6-[(2-methoxyacetyl)amino]-2-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzimidazole-4-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-[(2-methoxyacetyl)amino]-2-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzimidazole-4-carboxamide is sourced from PubChem (CID 45250475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).